10-Tetradecen-1-ol, acetate, (Z)-
PubChem CID: 5363221
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| Compound Synonyms | 10-Tetradecen-1-ol, acetate, (Z)-, (z)-10-tetradecenyl acetate, 10Z-Tetradecenyl acetate, 35153-16-3, [(Z)-tetradec-10-enyl] acetate, Z-10-tetradecenyl acetate, (Z)-10-Tetradecenyl=acetate, (Z)-Tetradec-10-en-1-yl acetate, 10-Tetradecen-1-ol, 1-acetate, (10Z)-, SCHEMBL831712, Z-10-Tetradecen-1-ol acetate, CHEBI:179802, DTXSID801015919, (10Z)-10-Tetradecenyl acetate #, LMFA07010307, 10Z-Tetradecenyl acetate CAS 35153-16-3, 10-Tetradecen-1-ol, acetate, (10Z)- (9CI), 10-Tetradecen-1-ol, acetate, (Z)- (ZCI), (Z)-10-Tetradecenyl acetate, cis-10-Tetradecen-1-ol acetate, cis-10-Tetradecenyl acetate |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCC/C=CCCCCCCCCCOC=O)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-tetradec-10-enyl] acetate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H30O2 |
| Inchi Key | LAXUVNVWTBEWKE-WAYWQWQTSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | z-10-tetradecen-1-ol acetate |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 10-Tetradecen-1-ol, acetate, (Z)- |
| Exact Mass | 254.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 254.41 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h5-6H,3-4,7-15H2,1-2H3/b6-5- |
| Smiles | CCC/C=C\CCCCCCCCCOC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21740094