Basic information
- CAS
123219-86-3- Standard SMILES
COC(=O)C=C(C)C1CCC(C)=CC1C(=O)OC- InChIKey
VARCDWGREFUVCN-UHFFFAOYSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13615911
Names & identifiers
- Preferred name
- Methyl 6-(4-methoxy-4-oxobut-2-en-2-yl)-3-methylcyclohex-2-ene-1-carboxylate
- IUPAC
- methyl 6-(4-methoxy-4-oxobut-2-en-2-yl)-3-methylcyclohex-2-ene-1-carboxylate
Names & synonyms
123219-86-3DTXSID601356624Methyl 6-[(2E)-4-methoxy-4-oxo-2-buten-2-yl]-3-methyl-2-cyclohexene-1-carboxylate
Database identifiers
- CAS
123219-86-3- PubChem CID
- 107779
- DTXSID
DTXSID601356624
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
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