3-Octen-1-OL
PubChem CID: 5364475
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | oct-3-en-1-ol, 3-Octen-1-ol, (3E)-, (E)-Oct-3-en-1-ol, 20125-85-3, (E)-3-Octen-1-ol, trans-3-Octen-1-Ol, 3-OCTEN-1-OL, (3E)-oct-3-en-1-ol, 18185-81-4, (3E)-3-Octen-1-ol, 3-Octen-1-ol, (E)-, EINECS 242-071-2, EINECS 243-534-1, trans-oct-3-en-1-ol, AI3-07194, SCHEMBL473592, SCHEMBL1129182, DTXSID40885116, CHEBI:168692, LMFA05000560, NS00083991, D91844 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Description | Oct-3-en-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Oct-3-en-1-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 67.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-oct-3-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 2.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C8H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YDXQPTHHAPCTPP-AATRIKPKSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.511 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.307 |
| Synonyms | Oct-3-en-1-ol, (3E)-3-Octen-1-ol, (e)-Oct-3-en-1-ol, trans-3-Octen-1-ol |
| Compound Name | 3-Octen-1-OL |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| 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 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all