(2E,4E)-Nona-2,4-dien-1-ol
PubChem CID: 5364586
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| Compound Synonyms | 2,4-Nonadien-1-ol, (2E,4E)-Nona-2,4-dien-1-ol, 62488-56-6, 64576-90-5, 2,4-Nonadien-1-ol, (E,E)-, EINECS 264-947-3, trans,trans-nona-2,4-dienol, 2,4-nonadienol, (2E,4E)-2,4-Nonadien-1-ol, AI3-36039, SCHEMBL295436, (E,E)-2,4-Nonadien-1-ol, FEMA 3951, CHEBI:168955, DTXSID401314028, LMFA05000608, AKOS006281266, (2E,4E)-2,4-Nonadien-1-ol #, NS00086667 |
|---|---|
| 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 | CCCC/C=C/C=C/CO |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Fatty acyls |
| Description | Food flavourant (presumably as mixture of geom. isomers) for a variety of foods |
| 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 | (2E,4E)-nona-2,4-dien-1-ol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O |
| Inchi Key | NCPWFIVLKCFWSP-BSWSSELBSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | (2E,4E)-2,4-Nonadien-1-ol, 2,4-Nonadienol, FEMA 3951, Nonadien-1-ol, (2,4) nonadienol, (2e,4e)-nonadienol, 2,4-nonadienol |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C=C/C, CO |
| Compound Name | (2E,4E)-Nona-2,4-dien-1-ol |
| 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/h5-8,10H,2-4,9H2,1H3/b6-5+,8-7+ |
| Smiles | CCCC/C=C/C=C/CO |
| 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 Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9701016 - 2. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643595 - 3. Outgoing r'ship
FOUND_INto/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063