1-(2,8,8-Trimethyldecahydronaphthalen-2-yl)ethyl acetate
Basic information
- CAS
93813-20-8- Standard SMILES
CC(=O)OC(C)C1(C)CCC2CCCC(C)(C)C2C1- InChIKey
JXUFWFKHIKXYRV-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- 1-(2,8,8-Trimethyldecahydronaphthalen-2-yl)ethyl acetate
- IUPAC
- 1-(2,8,8-trimethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethyl acetate
Names & synonyms
93813-20-8NSC265031-(2,8,8-trimethyldecahydronaphthalen-2-yl)ethyl acetateDTXSID40282560NSC-26503
Database identifiers
- CAS
93813-20-8- PubChem CID
- 231027
- DTXSID
DTXSID40282560
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
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Compound notes
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