Basic information
- CAS
63649-50-3- Standard SMILES
CC(=O)OC(C)C1CC=C(C)CC1(C)C- InChIKey
MLQHMXIHRGYDJM-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate
- IUPAC
- 1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl acetate
Names & synonyms
63649-50-31-(2,2,4-Trimethyl-4-cyclohexenyl)ethyl acetateEINECS 264-380-1DTXSID308866323-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, acetate3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, 1-acetateRefChem:93590DTXCID401025956alpha,4,6,6-Tetramethylcyclohex-3-ene-1-methyl acetate1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl acetateSCHEMBL11450753
Show more names
3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, acetateNS001234981,5,5-trimethyl-4-(1 -acetoxyethyl)-cyclohex-1-ene
Database identifiers
- CAS
63649-50-3- PubChem CID
- 112702
- DTXSID
DTXSID30886632- EC Number
- 264-380-1
- Nikkaji
- J286.527K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, 1-acetate: INACTIVE
Related reactions
1 records
Compound notes
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