4-Tert-butyl-2-(4-tert-butylcyclohexyl)cyclohexan-1-one
Basic information
- CAS
7499-31-2- Standard SMILES
CC(C)(C)C1CCC(C2CC(C(C)(C)C)CCC2=O)CC1- InChIKey
ASKGGFGCZXSUQZ-UHFFFAOYSA-N- Molecular formula
- C20H36O
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.27661577
Names & identifiers
- Preferred name
- 4-Tert-butyl-2-(4-tert-butylcyclohexyl)cyclohexan-1-one
- IUPAC
- 4-tert-butyl-2-(4-tert-butylcyclohexyl)cyclohexan-1-one
Names & synonyms
7499-31-24-tert-butyl-2-(4-tert-butylcyclohexyl)cyclohexan-1-oneNSC407642DTXSID10324749NSC-4076424',5-Di-tert-butyl[1,1'-bi(cyclohexan)]-2-one
Database identifiers
- CAS
7499-31-2- PubChem CID
- 348371
- DTXSID
DTXSID10324749
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
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Compound notes
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