Basic information
- CAS
16641-30-8- Standard SMILES
CC(C)C1CCC(C)(Cl)C2CCC(C)(Cl)CC12- InChIKey
MVELFXADPKFEEW-UHFFFAOYSA-N- Molecular formula
- C15H26Cl2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 276.1411562
Overview
1,6-Dichloro-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene has been reported in Athrotaxis cupressoides, Chamaecyparis pisifera, and Athrotaxis selaginoides with data available.
Names & identifiers
- Preferred name
- 1,6-Dichloro-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene
- IUPAC
- 4,7-dichloro-4,7-dimethyl-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene
- English name
- [1S,4aβ,8aα,(-)]-1β,6β-Dichlorodecahydro-1,6-dimethyl-4β-(1-methylethyl)naphthalene
- Molecular formula
- C15H26Cl2
- Molecular weight
- 277.27
Names & synonyms
16641-30-81,6-dichloro-1,6-dimethyl-4-(propan-2-yl)decahydronaphthaleneNSC1477484,7-dichloro-4,7-dimethyl-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthaleneDTXSID50937195NSC-147748[1S,4abeta,8aalpha,(-)]-1beta,6beta-Dichlorodecahydro-1,6-dimethyl-4beta-(1-methylethyl)naphthalene(-)-Cadinane dichloride[1S,4aβ,8aα,(-)]-1β,6β-Dichlorodecahydro-1,6-dimethyl-4β-(1-methylethyl)naphthaleneNaphthalene, 1,6-dichlorodecahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S,4S,4aS,6S,8aR)-
Database identifiers
- CAS
16641-30-8- PubChem CID
- 287686
- DTXSID
DTXSID50937195
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 117 · 117-118 °C
- Boiling point
- 338.7 · 338.7±17.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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