3-(2,6,6-Trimethyl-2-cyclohexen-1-yl)methacrylaldehyde
Basic information
- CAS
67801-14-3- Standard SMILES
CC1=CCCC(C)(C)C1/C=C(\C)C=O- InChIKey
LAGYWBZWJKHOOJ-CSKARUKUSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Overview
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Names & identifiers
- Preferred name
- 3-(2,6,6-Trimethyl-2-cyclohexen-1-yl)methacrylaldehyde
- IUPAC
- (E)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-enal
Names & synonyms
3-(2,6,6-Trimethyl-2-cyclohexen-1-yl)methacrylaldehyde
Database identifiers
- CAS
67801-14-3- PubChem CID
- 6437263
- Nikkaji
- J317.141H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
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Compound notes
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