5-Tetradecen-1-ol, acetate, (Z)-
PubChem CID: 5363545
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| Compound Synonyms | Z-5-Tetradecen-1-ylacetate, 5-Tetradecen-1-ol, acetate, (Z)-, 35153-13-0, 5Z-Tetradecenyl acetate, [(Z)-tetradec-5-enyl] acetate, (z)-5-tetradecenyl acetate, Z-5-Tetradecen-1-yl acetate, Z-5-tetradecenyl acetate, (5Z)-5-Tetradecenyl acetate, SCHEMBL591804, CHEBI:179804, DTXSID501311427, HY-N12936, LMFA07010312, 5-Tetradecen-1-ol, 1-acetate, (5Z)-, (5Z)-TETRADEC-5-EN-1-YL ACETATE, 5Z-Tetradecenyl acetate CAS 35153-13-0, CS-1056673, NS00055390, G70582 |
|---|---|
| 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 | CCCCCCCC/C=CCCCCOC=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-5-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 | IAGBQBDKOCVGCC-KHPPLWFESA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | (z)-5-tetradecenyl acetate |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 5-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/h10-11H,3-9,12-15H2,1-2H3/b11-10- |
| Smiles | CCCCCCCC/C=C\CCCCOC(=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 Abelmoschus Moschatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701181