(Z)-9-tetradecenyl acetate
PubChem CID: 5364714
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| Compound Synonyms | (Z)-9-Tetradecenyl acetate, 16725-53-4, 9Z-Tetradecenyl acetate, (Z)-Tetradec-9-enyl acetate, (Z)-9-Tetradecen-1-ol acetate, [(Z)-tetradec-9-enyl] acetate, (Z)-tetradec-9-en-1-yl acetate, 9-Tetradecen-1-ol, acetate, (Z)-, (z)-9-tetradecen-1-yl acetate, Z-9-Tetradecenyl acetate, 9-Tetradecen-1-ol, 1-acetate, (9Z)-, DTXSID50894976, TN9973W29F, 9-Tetradecen-1-ol, acetate, (9Z)-, ((Z)-tetradec-9-enyl) acetate, EINECS 240-780-1, (9Z)-9-Tetradecenyl acetate, UNII-TN9973W29F, Prodenialure A, AI3-33474, (9Z)-tetradecen-1-yl acetate, MFCD00056302, SCHEMBL434446, Z-9-Tetradecen-1-ol acetate, Z-9-Tetradecen-1-yl acetate, Z9-14 Ac, CHEBI:179803, DTXCID301324533, (9Z)-tetradec-9-en-1-yl acetate, 61319-25-3, HY-N11582, LMFA07010316, TETRADECENYL ACETATE, (Z)-9-, FZ175676, NS00052335, G72365, Q27290039, (Z)-9-Tetradecen-1-yl acetate 100 microg/mL in Acetonitrile |
|---|---|
| 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 | CCCC/C=CCCCCCCCCOC=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-9-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 | XXPBOEBNDHAAQH-SREVYHEPSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | (z)-9-tetradecen-1-ol, acetate |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | (Z)-9-tetradecenyl acetate |
| 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/h6-7H,3-5,8-15H2,1-2H3/b7-6- |
| Smiles | CCCC/C=C\CCCCCCCCOC(=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 Solena Amplexicaulis (Plant) Rel Props:Reference:ISBN:9770972795006