2-Cyclohexane-1-carboxylic acid, 6-(3-methoxy-1-methyl-3-oxo-1-propenyl)-3-methyl-, methyl ester
Basic information
- CAS
123219-86-3- Standard SMILES
COC(=O)/C=C(\C)C1CCC(C)=CC1C(=O)OC- InChIKey
VARCDWGREFUVCN-CSKARUKUSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13615911
Names & identifiers
- Preferred name
- 2-Cyclohexane-1-carboxylic acid, 6-(3-methoxy-1-methyl-3-oxo-1-propenyl)-3-methyl-, methyl ester
- IUPAC
- methyl 6-[(E)-4-methoxy-4-oxobut-2-en-2-yl]-3-methylcyclohex-2-ene-1-carboxylate
Names & synonyms
123219-86-32-Cyclohexane-1-carboxylic acid, 6-(3-methoxy-1-methyl-3-oxo-1-propenyl)-3-methyl-, methyl ester2-Cyclohexene-1-carboxylic acid, 3-methyl-6-(3-methoxy-1-methyl-3-oxo-1-propenyl)-, methyl ester
Database identifiers
- CAS
123219-86-3- PubChem CID
- 6437360
- Nikkaji
- J3.071.796A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…