(6Z,9Z)-12-[(1S,2S)-2-pentylcyclopropyl]dodeca-6,9-dienoic acid
PubChem CID: 162845059
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6Z,9Z)-12-[(1S,2S)-2-pentylcyclopropyl]dodeca-6,9-dienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMLUPIPWSUSEEM-YEBWWHPESA-N |
| Fcsp3 | 0.75 |
| Logs | -3.414 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.47 |
| Compound Name | (6Z,9Z)-12-[(1S,2S)-2-pentylcyclopropyl]dodeca-6,9-dienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.144337999999999 |
| Inchi | InChI=1S/C20H34O2/c1-2-3-11-14-18-17-19(18)15-12-9-7-5-4-6-8-10-13-16-20(21)22/h4,6-7,9,18-19H,2-3,5,8,10-17H2,1H3,(H,21,22)/b6-4-,9-7-/t18-,19-/m0/s1 |
| Smiles | CCCCC[C@H]1C[C@@H]1CC/C=C\C/C=C\CCCCC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Azadirachta Indica (Plant) Rel Props:Source_db:cmaup_ingredients