3,6-Nonadien-1-ol, (3Z,6Z)-
PubChem CID: 6434541
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| Compound Synonyms | 53046-97-2, (3Z,6Z)-3,6-Nonadien-1-ol, (3Z,6Z)-nona-3,6-dien-1-ol, (Z,z)-3,6-nonadien-1-ol, 3,6-Nonadien-1-ol, (3Z,6Z)-, (Z,Z)-3,6-nonadienol, 3,6-Nonadien-1-ol, (Z,Z)-, UNII-8J66AVE64W, 8J66AVE64W, FEMA 3885, 3Z,6Z-Nonadien-1-ol, AI3-38505, FEMA NO. 3885, DTXSID60886029, CIS,CIS-3,6-NONADIEN-1-OL, SCHEMBL88349, CHEBI:195699, DTXCID701025379, ( Z, Z)-3,6-nonadien-1-ol, LMFA05000136, AKOS006229280, (Z,Z)-3,6-NONADIENOL [FHFI], (Z,Z)-3,6- NONADIENOL [FHFI], DB-007998, Q27270619 |
|---|---|
| Ghose Rule | False |
| 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=CCC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Fatty acyls |
| Description | Found in melon and cucumber. Food flavour |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,6Z)-nona-3,6-dien-1-ol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O |
| Inchi Key | PICGPEBVZGCYBV-CWWKMNTPSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Liquid |
| Synonyms | FEMA 3885, (3z,6e)-3,6-nonadien-1-ol, (all-z)-3,6-nonadien-1-ol |
| Substituent Name | Fatty alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC, CO |
| Compound Name | 3,6-Nonadien-1-ol, (3Z,6Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6- |
| Smiles | CC/C=C\C/C=C\CCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Source_db:fooddb_chem_all