7-Keto-11c-octadecenoic acid
PubChem CID: 14861231
Connections displayed (default: 10).
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| Compound Synonyms | 7-oxo-11-Octadecenoic acid, 7-keto-11-Octadecenoic acid, 7-Oxo-11c-octadecenoic acid, 7-Keto-11c-octadecenoic acid, 11-Octadecenoic acid, 7-oxo-, (Z)-, LMFA01060214 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-7-oxooctadec-11-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 4.9 |
| Molecular Formula | C18H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VWEWTQPRFPEQEU-FPLPWBNLSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -1.492 |
| Rotatable Bond Count | 15.0 |
| Logd | -0.863 |
| Compound Name | 7-Keto-11c-octadecenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7497961999999996 |
| Inchi | InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-11-14-17(19)15-12-10-13-16-18(20)21/h7-8H,2-6,9-16H2,1H3,(H,20,21)/b8-7- |
| Smiles | CCCCCC/C=C\CCCC(=O)CCCCCC(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Glomerata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rhamnus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvia Mirzayanii (Plant) Rel Props:Source_db:cmaup_ingredients