2-(11Z)-11-Heptadecen-1-yl-6-hydroxybenzoic acid
PubChem CID: 44133540
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(11Z)-11-Heptadecen-1-yl-6-hydroxybenzoic acid, 1150271-94-5, DTXSID601240326 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(Z)-heptadec-11-enyl]-6-hydroxybenzoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 9.6 |
| Molecular Formula | C24H38O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QXBAIZZDGIOKAV-SREVYHEPSA-N |
| Fcsp3 | 0.625 |
| Logs | -2.56 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.586 |
| Compound Name | 2-(11Z)-11-Heptadecen-1-yl-6-hydroxybenzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 374.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.331397844444444 |
| Inchi | InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h6-7,17,19-20,25H,2-5,8-16,18H2,1H3,(H,26,27)/b7-6- |
| Smiles | CCCCC/C=C\CCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients