Basic information
- CAS
17429-29-7- Standard SMILES
CC1CC(=O)C=CC1(C)C- InChIKey
SNCRCXQBWGLTDV-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 4,4,5-Trimethylcyclohex-2-en-1-one
- IUPAC
- 4,4,5-trimethylcyclohex-2-en-1-one
- English name
- 4,4,5-Trimethyl-2-cyclohexen-1-one
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
4,4,5-trimethylcyclohex-2-en-1-one17429-29-7DTXSID30938488RefChem:1069311DTXCID1013670164,4,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE2-Cyclohexen-1-one, 4,4,5-trimethyl-4,4,5-Trimethyl-2-cyclohexenoneSCHEMBL4264724SNCRCXQBWGLTDV-UHFFFAOYSA-N4,4,5-Trimethyl-2-cyclohexen-1-one #
Database identifiers
- CAS
17429-29-7- PubChem CID
- 28544
- DTXSID
DTXSID30938488- Nikkaji
- J101.253C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 177
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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