3-Octen-1-ol, (3Z)-
PubChem CID: 5364519
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| Compound Synonyms | cis-3-Octen-1-ol, 20125-84-2, (Z)-Oct-3-en-1-ol, (Z)-3-octen-1-ol, 3-Octen-1-ol, (3Z)-, 3-Octen-1-ol, (Z)-, 3-Octenol, cis-, (3Z)-3-Octen-1-ol, 3Z-Octen-1-ol, FEMA No. 3467, 3-Octen-1-ol, cis-, UNII-34A1X2Y8M9, 34A1X2Y8M9, EINECS 243-533-6, OCTEN-1-OL, CIS-3-, DTXSID80885115, CIS-3-OCTEN-1-OL [FHFI], (Z)-3-OCTEN-1-OL [FCC], (3Z)-OCT-3-EN-1-OL, MFCD00014062, cis-3-octene-1-ol, cis-oct-3-en-1-ol, 3-Octen-1-ol,(3Z)-, SCHEMBL473591, FEMA 3467, CHEBI:187054, DTXCID701018491, LMFA05000128, AKOS037645112, HY-W127406, AS-57221, CS-0185640, NS00083990, O0248, Q27256355, 243-533-6 |
|---|---|
| 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=CCCO |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavouring ingredient present in banana, passionfruit and green peas. (Z)-3-Octen-1-ol is found in pulses and fruits. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 67.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-oct-3-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YDXQPTHHAPCTPP-WAYWQWQTSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.75 |
| Logs | -2.489 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.486 |
| Synonyms | (3Z)-3-Octen-1-ol, (Z)-3-Octen-1-ol, cis-3-Octen-1-Ol, FEMA 3467, cis-3-Octen-1-ol, (z)-3-octen-1-ol, 3z-octen-1-ol, z-3-octen-1-ol |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC, CO |
| Compound Name | 3-Octen-1-ol, (3Z)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Esol | -1.8169329999999997 |
| Inchi | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5- |
| Smiles | CCCC/C=C\CCO |
| Nring | 0.0 |
| 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 Anisomeles Indica (Plant) Rel Props:Reference:https://doi.org/10.1016/j.bse.2011.12.017 - 2. Outgoing r'ship
FOUND_INto/from Chloroxylon Swietenia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.782472 - 3. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Reference:ISBN:9770972795006 - 4. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all