Basic information
- CAS
27400-71-1- Standard SMILES
C=C/C(C)=C\C=C\C(C)C- InChIKey
PMRMCTRIVCIICU-QDJLDCPTSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Names & identifiers
- Preferred name
- 1,3,2-Octatriene, 3,7-dimethyl-, (Z)-
- IUPAC
- (3Z,5E)-3,7-dimethylocta-1,3,5-triene
- English name
- ocimene,(Z)-ocimene
- Molecular weight
- 0
Names & synonyms
PMRMCTRIVCIICU-QDJLDCPTSA-N27400-71-1NS001244121,3,2-Octatriene, 3,7-dimethyl-, (Z)-ocimene,(Z)-ocimene
Database identifiers
- CAS
27400-71-1- PubChem CID
- 6436632
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Odor
- herbal
- LogP
- 4.359 · 4.359 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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