Basic information
- CAS
14166-03-1- Standard SMILES
CC1CCC(C(C)(C)OC(=O)Cc2ccccc2)CC2=C1CCC2C- InChIKey
UTINEQJTEXCBGS-UHFFFAOYSA-N- Molecular formula
- C23H32O2
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.24023026
Names & identifiers
- Preferred name
- 2-(3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl 2-phenylacetate
- IUPAC
- 2-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl 2-phenylacetate
Names & synonyms
14166-03-1EINECS 238-008-32-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl 2-phenylacetate2-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl phenylacetateDTXSID50931153(3S-(3alpha,5alpha,8alpha))-1-Methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl phenylacetate[3S-(3alpha,5alpha,8alpha)]-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl phenNS00051480
Database identifiers
- CAS
14166-03-1- PubChem CID
- 85688
- DTXSID
DTXSID50931153- EC Number
- 238-008-3
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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