Cbbh315 heptanoic acid, 3-hydroxy-5-methyl-4 - hydroxy-4-methyl-4 - Hinthyl-4 -
| Thepa ea bohlokoa ea 'mele | Boleng | Boemo |
| Boima ba Molecular | 365.46 | - |
| Sekhahla sa ho pheha (se boletsoeng esale pele) | 504.1 ± 50.0 ° C | Tobetsa: 760 Torr |
| Mabenyane (a boletsoeng esale pele) | 1.091 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr |
| pka (e boletsoeng esale pele) | 11.82 ± 0.46 | Boholo ba tempele ea acidic: 25 ° C |
Cannonical smiles o = c (ac- c (cc = cc = CC1) NC (C) CC (C) C) cc
Isomeric Smiles [@ h] ([C @ H] (CC (CC (C) (C)) = CC = C.
Inchi
Inchi = 1s / c20h3no5 / c1-6-14 (2) 18-29-7-7-7,22H2,1-5 H3, (H, (H, 21,24) / T14-, 16 + / M0 / S1 / S1
Senotlolo sa Inchi
Aztsbawjisrol-ASCRADOSA-N
| Thepa e fumanehang |
| Sa tlhaho |
| Lik'hemik'hale |
| Letsoalo |
| LIPINSSKI |
| Sebopeho se amanang le |
| Armal |
Sa tlhaho
| Thepa | Boleng | Boemo | Mohloli |
| Linkho tsa BioCentration | 616 | ph 1; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 617 | ph 2; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 617 | ph 3; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 617 | PH 4; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 617 | ph 5; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 617 | PH 6; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 617 | PH 7; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 617 | PH 8; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 616 | ph 9; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 604 | ph 10; TEMP: 25 ° C | (1) ACD |
.
Lik'hemik'hale
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 3450 | ph 1; TEMP: 25 ° C | (1) ACD |
| Koc | 3460 | ph 2; TEMP: 25 ° C | (1) ACD |
| Koc | 3460 | ph 3; TEMP: 25 ° C | (1) ACD |
| Koc | 3460 | PH 4; TEMP: 25 ° C | (1) ACD |
| Koc | 3460 | ph 5; TEMP: 25 ° C | (1) ACD |
| Koc | 3460 | PH 6; TEMP: 25 ° C | (1) ACD |
| Koc | 3460 | PH 7; TEMP: 25 ° C | (1) ACD |
| Koc | 3460 | PH 8; TEMP: 25 ° C | (1) ACD |
| Koc | 3450 | ph 9; TEMP: 25 ° C | (1) ACD |
| Koc | 3390 | ph 10; TEMP: 25 ° C | (1) ACD |
| logd | 3.97 | ph 1; TEMP: 25 ° C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| logd | 3.97 | ph 2; TEMP: 25 ° C | (1) ACD |
| logd | 3.97 | ph 3; TEMP: 25 ° C | (1) ACD |
| logd | 3.97 | PH 4; TEMP: 25 ° C | (1) ACD |
| logd | 3.97 | ph 5; TEMP: 25 ° C | (1) ACD |
| logd | 3.97 | PH 6; TEMP: 25 ° C | (1) ACD |
| logd | 3.97 | PH 7; TEMP: 25 ° C | (1) ACD |
| logd | 3.97 | PH 8; TEMP: 25 ° C | (1) ACD |
| logd | 3.97 | ph 9; TEMP: 25 ° C | (1) ACD |
| logd | 3.96 | ph 10; TEMP: 25 ° C | (1) ACD |
| Logp | 3.974 ± 0.543 | TEMP: 25 ° C | (1) ACD |
| Mass Interrincic solubility | 0.062 g / l | TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | ph 1; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | ph 2; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | ph 3; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | PH 4; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | ph 5; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | PH 6; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | PH 7; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | PH 8; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | ph 9; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | ph 10; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.062 g / l | PH ea metsi e sa sebetsoang. TEMP: 25 ° C | (1) ACD |
| Molala oa Molala oa Molala | 1.7 x 10-4 mol / l | TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | ph 1; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | ph 2; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | ph 3; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | PH 4; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | ph 5; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | PH 6; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | PH 7; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | PH 8; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | ph 9; TEMP: 25 ° C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Molala ea lla | 1.7 x 10-4 mol / l | ph 10; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-4 mol / l | PH ea metsi e sa sebetsoang. TEMP: 25 ° C | (1) ACD |
| Boima ba Molecular | 365.46 | ||
| pka | 11.82 ± 0.46 | Boholo ba tempele ea acidic: 25 ° C | (1) ACD |
| pka | -1.56 ± 0.70 | Boholo ba mosebetsi oa mantlha: 25 ° C | (1) ACD |
| Khatello ea mouoane | 5.56 x 10-11 Torr | TEMP: 25 ° C | (1) ACD |
.
Letsoalo
| Thepa | Boleng | Boemo | Mohloli |
| Letsoalo | 1.091 ± 0.06 g / cm3 | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molalar | 334.7 ± 3.0 cm3 / mol | Temp: 20 ° C; Tobetsa: 760 Torr | (1) ACD |
.
LIPINSSKI
| Thepa | Boleng | Boemo | Mohloli |
| Li-litlama tse potolohileng ka bolokolohi | 12 | (1) ACD | |
| H | 6 | (1) ACD | |
| H donors | 2 | (1) ACD | |
| H donor / Canot | 8 | (1) ACD | |
| Logp | 3.974 ± 0.543 | TEMP: 25 ° C | (1) ACD |
| Boima ba Molecular | 365.46 |
.
Sebopeho se amanang le
| Thepa | Boleng | Boemo | Mohloli |
| Sebaka sa polar. | 84.9 A2 | (1) ACD | |
.
Armal
| Thepa | Boleng | Boemo | Mohloli |
| Poleft Point | 504.1 ± 50.0 ° C | Tobetsa: 760 Torr | (1) ACD |
| Entatpy ea vaporization | 81.44 ± 3.0 KJ / Mol | Tobetsa: 760 Torr | (1) ACD |
| Flash point | 258.6 ± 30,1 ° C | (1) ACD |
.
Spectra e fumanehang
1h nmr
13c nmr
| Khoutu | Polelo ea kotsi | Mohloli |
| H301 | Chefo haeba e koetsoe | Setsi sa Europe sa Europe ea Europe (ECHA) Sekheo sa Bo-'mè le Labeding le ho ngolisa |
Ngola molaetsa oa hau mona 'me u e romelle ho rona
