Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
Basic information
- CAS
16729-01-4- Standard SMILES
CC1=CC2C(=C(C)CCC2C(C)C)CC1- InChIKey
FUCYIEXQVQJBKY-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
Delta-cadinene is a member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (position 8a). It is a member of hexahydronaphthalenes and a cadinene.
Names & identifiers
- Preferred name
- Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
- IUPAC
- 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
- English name
- Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-RefChem:83181916729-01-4Cadina-1(10),4-diene1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthaleneD-Amorphene(+)-delta-amorphene(+)-?-Cadinene4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalenecadinene (delta-)SCHEMBL1760778
Show more names
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-
DTXSID80274505FUCYIEXQVQJBKY-UHFFFAOYSA-NAAA48376hexahydro-4,7-dimethyl-1-(1-methylethyl)-naphthalenerel-(1R,8aS)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
Database identifiers
- CAS
16729-01-4、189165-79-5、483-76-1
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 279.7 · 279.7±15.0 °C(Predicted)
- Density
- 0.9 · 0.90±0.1 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Delta-cadinene is a member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (position 8a). It is a cadinene and a member of hexahydronaphthalenes.
Related reactions
0 records
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Compound notes
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