1-Dodecen-1-ol, acetate
PubChem CID: 5363334
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-DODECEN-1-OL, ACETATE, 56438-08-5, DTXSID501016213, dodecenyl acetate, (1E)-1-Dodecenyl acetate #, SCHEMBL1630152, DTXCID501474352 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCC/C=C/OC=O)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-dodec-1-enyl] acetate |
| Veber Rule | False |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 5.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26O2 |
| Inchi Key | MAAMIILYYYQTQW-OUKQBFOZSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | dodecenyl acetate |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/OC(C)=O |
| Compound Name | 1-Dodecen-1-ol, acetate |
| Exact Mass | 226.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.35 |
| 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/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h12-13H,3-11H2,1-2H3/b13-12+ |
| Smiles | CCCCCCCCCC/C=C/OC(=O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Moschatus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070203