5-Octen-1-ol, (5Z)-
PubChem CID: 5352837
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| Compound Synonyms | cis-5-Octen-1-ol, 64275-73-6, (Z)-Oct-5-en-1-ol, (Z)-5-Octen-1-ol, 5-Octen-1-ol, (5Z)-, (Z)-5-Octenol, 5-Octen-1-ol, (Z)-, (5Z)-oct-5-en-1-ol, FEMA No. 3722, (5Z)-Octen-1-ol, 5-Octen-1-ol, cis-, (5Z)-5-Octen-1-ol, JR85B4MH49, DTXSID9047700, EINECS 264-764-9, DTXCID0027698, CIS-5-OCTEN-1-OL [FHFI], MFCD00015569, cis-oct-5-en-1-ol, UNII-JR85B4MH49, cis-5-octene-1-ol, 5Z-Octen-1-ol, 5-Octen-1-ol,(5Z)-, SCHEMBL466612, CHEMBL3184730, FEMA 3722, CHEBI:168644, Tox21_302602, LMFA05000572, AKOS037645085, HY-W101301, NCGC00256821-01, AS-56923, CAS-64275-73-6, CS-0153943, NS00022615, O0250, cis-5-Octen-1-ol, >=98%, stabilized, FG, Q27281655, cis-5-Octen-1-ol, 95%, remainder mainly trans-isomer |
|---|---|
| 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 | OCCCC/C=CCC |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of apples, banana and passionfruit. Flavouring ingredient. 5Z-Octenol is found in pomes and fruits. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 67.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-oct-5-en-1-ol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Inchi Key | VDHRTASWKDTLER-ARJAWSKDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Liquid |
| Synonyms | (5Z)-5-Octen-1-ol, (5Z)-Octen-1-ol, (Z)-5-Octen-1-ol, (Z)-5-octenol, (Z)-Oct-5-en-1-ol, 5Z-Octenol, cis-5-Octen-1-ol, FEMA 3722, (Z)-5-Octenol, oct-5(z)-en-1-ol |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC, CO |
| Compound Name | 5-Octen-1-ol, (5Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3- |
| Smiles | CC/C=C\CCCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Musa Paradisiaca (Plant) Rel Props:Reference:ISBN:9788172362140