Basic information
- CAS
42507-56-2- Standard SMILES
CC(C)=C[C@@H]1C=C(C)[C@@H](C)C[C@H]1C=O- InChIKey
DBKJZSIBBKOBCN-XQQFMLRXSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-carboxaldehyde, 4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-, (1R,2R,5S)-rel-
- IUPAC
- (1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
Names & synonyms
42507-56-2DTXSID80884825EINECS 255-859-63-Cyclohexene-1-carboxaldehyde, 4,5-dimethyl-2-(2-methyl-1-propenyl)-, (1R,2R,5S)-rel-3-Cyclohexene-1-carboxaldehyde, 4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-, (1R,2R,5S)-rel-RefChem:500736DTXCID901024246(1alpha,2beta,5alpha)-4,5-Dimethyl-2-(2-methylpropen-2-yl)cyclohex-3-ene-1-carbaldehydeDBKJZSIBBKOBCN-XQQFMLRXSA-N(1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-en-1-yl)cyclohex-3-ene-1-carbaldehyde
Database identifiers
- CAS
42507-56-2- PubChem CID
- 170657
- DTXSID
DTXSID80884825- EC Number
- 255-859-6
- Nikkaji
- J305.019J
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 269
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Cyclohexene-1-carboxaldehyde, 4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-, (1R,2R,5S)-rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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