(3Z,6Z,9Z)-dodecatrienol
PubChem CID: 5281129
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| Compound Synonyms | (3Z,6Z,9Z)-dodecatrienol, (Z,Z,Z)-3,6,9-Dodecatrien-1-ol, (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol, 81345-02-0, 3Z,6Z,9Z-dodecatrien-1-ol, (3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol, C08375, SCHEMBL9155204, CHEBI:28627, DTXSID301299300, LMFA05000097, Q27103797 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCC/C=CC/C=CC/C=CCC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H20O |
| Inchi Key | OFAUAWIRDOCHFP-PDBXOOCHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | (z,z,z)-3,6,9-dodecatrien-1-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CO |
| Compound Name | (3Z,6Z,9Z)-dodecatrienol |
| Exact Mass | 180.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 180.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3/b4-3-,7-6-,10-9- |
| Smiles | CC/C=C\C/C=C\C/C=C\CCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Jasminum Grandiflorum (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Jasminum Sambac (Plant) Rel Props:Reference:ISBN:9788172361150