3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-formate
Basic information
- CAS
63649-51-4- Standard SMILES
CC1=CCC(C(C)OC=O)C(C)(C)C1- InChIKey
LYXVXHDZNUEEGM-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-formate
- IUPAC
- 1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl formate
Names & synonyms
63649-51-4EINECS 264-381-71-(2,2,4-Trimethyl-4-cyclohexenyl)ethyl formate3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, formateDTXSID908866333-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-formate3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, 1-formateRefChem:93591DTXCID1010259571-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl formatealpha,4,6,6-Tetramethylcyclohex-3-ene-1-methyl formateSCHEMBL11460836
Show more names
3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, formateNS000132281,5,5-trimethyl-4-(1-formyloxyethyl)-cyclohex-1-ene
Database identifiers
- CAS
63649-51-4- PubChem CID
- 112703
- DTXSID
DTXSID90886633- EC Number
- 264-381-7
- Nikkaji
- J286.528I
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
- 14
- Formal charge
- 0
- Complexity
- 241
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, formate
Other Safety InformationIMAP assessments - 3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, formate: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, 1-formate: INACTIVE
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Related reactions
1 records
Compound notes
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