1-(2,5,5,7,8,8-Hexamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)ethan-1-one
Basic information
- CAS
74661-95-3- Standard SMILES
CC(=O)C1(C)CCC2C(C1)C(C)(C)C(C)=CC2(C)C- InChIKey
HZIQYRUFPPFPMI-UHFFFAOYSA-N- Molecular formula
- C18H30O
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.22966558
Names & identifiers
- Preferred name
- 1-(2,5,5,7,8,8-Hexamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)ethan-1-one
- IUPAC
- 1-(2,5,5,7,8,8-hexamethyl-3,4,4a,8a-tetrahydro-1H-naphthalen-2-yl)ethanone
Names & synonyms
74661-95-3DTXSID708229981-(2,5,5,7,8,8-Hexamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)ethan-1-one
Database identifiers
- CAS
74661-95-3- PubChem CID
- 71401992
- DTXSID
DTXSID70822998
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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