Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate
Basic information
- CAS
52452-25-2- Standard SMILES
COC(=O)C1C(=O)C=C(OC)CC1C- InChIKey
BIBYTJJVVBGZMA-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate
- IUPAC
- methyl 4-methoxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
- English name
- 4-Methoxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylic acid methyl ester
- Molecular formula
- C10H14O4
- Molecular weight
- 198.22
Names & synonyms
Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate52452-25-2DTXSID40340715RefChem:355769DTXCID20291796methyl 4-methoxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylateBIBYTJJVVBGZMA-UHFFFAOYSA-N4-Methoxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylic acid methyl ester3-Cyclohexene-1-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl esterDB-305958Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate #
Database identifiers
- CAS
52452-25-2- PubChem CID
- 566720
- DTXSID
DTXSID40340715- Nikkaji
- J141.142J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 304.3 · 304.3±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 10.3 · 10.30±0.60(Predicted)
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Related reactions
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Compound notes
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