Basic information
- CAS
6876-07-9- Standard SMILES
C=CC(C)C/C=C/C(=C)C- InChIKey
JWMIAIJDECOUIA-VOTSOKGWSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Names & identifiers
- Preferred name
- Isomyocorene
- IUPAC
- (3E)-2,6-dimethylocta-1,3,7-triene
- English name
- 2,6-Dimethyl-1,3,7-octatriene
- Molecular formula
- C10H16
- Molecular weight
- 136.23
Names & synonyms
Isomyocorene6876-07-92,6-dimethyl-1,3,7-octatriene(3E)-2,6-dimethylocta-1,3,7-trieneSCHEMBL6865342DTXSID501020816(3E)-2,6-Dimethyl-1,3,7-octatriene(3E)-2,6-Dimethyl-1,3,7-octatriene #2,6-Dimethyl 1,3,7-octatriene (alpha menthrene)α-Hymentherene
Database identifiers
- CAS
6876-07-9- PubChem CID
- 5367571
- DTXSID
DTXSID501020816- Nikkaji
- J14.881D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 165.57 · 165.570±10.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.767 · 0.767±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- LogP
- 4.077 · 4.077 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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