2-Cyclohexen-1-one, 3,4,4-trimethyl-
Basic information
- CAS
17299-41-1- Standard SMILES
CC1=CC(=O)CCC1(C)C- InChIKey
LJILDAULEWAKOE-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 3,4,4-trimethyl-
- IUPAC
- 3,4,4-trimethylcyclohex-2-en-1-one
- English name
- 1,6,6-Trimethylcyclohexene-3-one
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
17299-41-12-Cyclohexen-1-one, 3,4,4-trimethyl-DTXSID60169485RefChem:86596DTXCID6091976LJILDAULEWAKOE-UHFFFAOYSA-N3,4,4-trimethylcyclohex-2-enone3,4,4-trimethylcyclohex-2-en-1-one3,4,4-trimethyl-cyclohex-2-enone3,4,4-TRIMETHYL-2-CYCLOHEXEN-1-ONESCHEMBL8573383,4,4-trimethyl-cyclohex-2-en-1-one
Show more names
1,6,6-Trimethylcyclohexene-3-one
3,4,4-Trimethyl-2-cyclohexen-1-one #DB-105154
Database identifiers
- CAS
17299-41-1- PubChem CID
- 28450
- DTXSID
DTXSID60169485- Nikkaji
- J2.283G
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 187
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 217 °C · 217°C (estimate)
- Density
- 0.944 · 0.9440
- refractive index
- 1.4889 · 1.4889 (estimate)
Related reactions
2 records
Compound notes
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