(2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene
Basic information
- CAS
56691-74-8- Standard SMILES
CC1=C(CS(=O)(=O)c2ccccc2)C(C)(C)CCC1- InChIKey
WQRHISGXRFLGKQ-UHFFFAOYSA-N- Molecular formula
- C16H22O2S
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.13405111
Names & identifiers
- Preferred name
- (2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene
- IUPAC
- (2,6,6-trimethylcyclohexen-1-yl)methylsulfonylbenzene
Names & synonyms
(2,6,6-Trimethylcyclohex-1-enylmethanesulfonyl)benzene56691-74-81-Phenylsulfonylmethyl-2,6,6-trimethylcyclohexeneSCHEMBL3393374DTXSID30342965WQRHISGXRFLGKQ-UHFFFAOYSA-N[(2,6,6-trimethylcyclohex-1-en-1-yl)methanesulfonyl]benzeneBenzene, [[(2,6,6-trimethyl-1-cyclohexen-1-yl)methyl]sulfonyl]-Q63395648(2,6,6-trimethylcyclohex-1-enylmethanesulfonyl) benzene([(2,6,6-Trimethyl-1-cyclohexen-1-yl)methyl]sulfonyl)benzene #
Database identifiers
- CAS
56691-74-8- PubChem CID
- 586248
- DTXSID
DTXSID30342965- Nikkaji
- J354.495H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 446
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Related reactions
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Compound notes
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