Basic information
- CAS
30824-81-8- Standard SMILES
CC(C)C1CCC2(C)CCCC(C)C2C1- InChIKey
DYEQPYSFRWUNNV-UHFFFAOYSA-N- Molecular formula
- C15H28
- Average molar mass
- 208.38 g/mol
- Monoisotopic mass
- 208.21910089
Overview
Selinan is a eudesmane sesquiterpenoid.
Names & identifiers
- Preferred name
- 1,4a-Dimethyl-7-(propan-2-yl)decahydronaphthalene
- IUPAC
- 5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
- English name
- (1S,8aα)-Decahydro-1,4aβ-dimethyl-7β-(1-methylethyl)naphthalene
- Molecular formula
- C15H28
- Molecular weight
- 208.38
Names & synonyms
30824-81-8DTXSID009530221,4a-Dimethyl-7-(propan-2-yl)decahydronaphthaleneRefChem:1053392DTXCID201381087SELINANSelinane5,8a-dimethyl-3-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene7-Isopropyl-1,4a-dimethyldecahydronaphthalene #SCHEMBL29604207CHEBI:167374DYEQPYSFRWUNNV-UHFFFAOYSA-N
Show more names
4αH-Eudesmane(1S,8aα)-Decahydro-1,4aβ-dimethyl-7β-(1-methylethyl)naphthaleneNaphthalene, decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1S,4aR,7R,8aS)-
7-Isopropyl-1,4a-dimethyldecahydronaphthalene(1S,8aalpha)-Decahydro-1,4abeta-dimethyl-7beta-(1-methylethyl)naphthaleneNaphthalene, decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1alpha,4aalpha,7alpha,8abeta)]-
Database identifiers
- CAS
30824-81-8- PubChem CID
- 35524
- DTXSID
DTXSID00953022
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 259.6 · 259.6±7.0 °C(Predicted)
- Density
- 0.8812 g/cm3 · 0.8812 g/cm3
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: Selinan is a eudesmane sesquiterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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