Basic information
- CAS
20158-60-5- Standard SMILES
CC1(C)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1- InChIKey
UBFMLYNCDOOCMI-UHFFFAOYSA-N- Molecular formula
- C16H26O
- Average molar mass
- 234.38 g/mol
- Monoisotopic mass
- 234.19836545
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-
- IUPAC
- 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-one
Names & synonyms
20158-60-5DTXSID803443532,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-RefChem:247168DTXCID90295428SCHEMBL13886742UBFMLYNCDOOCMI-UHFFFAOYSA-N4,4-dimethyl-2,6-di-t-butyl-2,5-cyclohexadienone2,6-Ditert-butyl-4,4-dimethyl-2,5-cyclohexadien-1-one #2,6-Bis(1,1-dimethylethyl)-4,4-dimethylcyclohexa-2,5-dien-1-one2,6-DI-TERT-BUTYL-4,4-DIMETHYLCYCLOHEXA-2,5-DIEN-1-ONE
Database identifiers
- CAS
20158-60-5- PubChem CID
- 596132
- DTXSID
DTXSID80344353
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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