Basic information
- CAS
2698-65-9- Standard SMILES
CCOC(=O)C1(C(=O)OCC)CC=C(C)CC1- InChIKey
ZGDIGNSARDATTM-UHFFFAOYSA-N- Molecular formula
- C13H20O4
- Average molar mass
- 240.29 g/mol
- Monoisotopic mass
- 240.13615911
Names & identifiers
- Preferred name
- Diethyl 4-methylcyclohex-3-ene-1,1-dicarboxylate
- IUPAC
- diethyl 4-methylcyclohex-3-ene-1,1-dicarboxylate
Names & synonyms
Diethyl 4-methylcyclohex-3-ene-1,1-dicarboxylate2698-65-9SCHEMBL23065403DTXSID40648223diethyl 4-methyl-3-cyclohexene-1,1-dicarboxylate4-methyl-cyclohex-3-ene-1,1-dicarboxylic acid diethyl ester
Database identifiers
- CAS
2698-65-9- PubChem CID
- 24974841
- DTXSID
DTXSID40648223- Nikkaji
- J910.033D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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