3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester
Basic information
- CAS
190505-24-9- Standard SMILES
CCOC(=O)C1(C(=O)OCC)CCC(C)=C(C(C)=O)C1- InChIKey
LSYFLETYJGBUHP-UHFFFAOYSA-N- Molecular formula
- C15H22O5
- Average molar mass
- 282.33 g/mol
- Monoisotopic mass
- 282.1467238
Names & identifiers
- Preferred name
- 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester
- IUPAC
- diethyl 3-acetyl-4-methylcyclohex-3-ene-1,1-dicarboxylate
Names & synonyms
190505-24-93-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl esterNSC75765diethyl 3-acetyl-4-methylcyclohex-3-ene-1,1-dicarboxylateDTXSID40291470NSC-75765
Database identifiers
- CAS
190505-24-9- PubChem CID
- 253182
- DTXSID
DTXSID40291470- Nikkaji
- J863.029A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
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Compound notes
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