Diethyl cyclohex-1-ene-1,2-dicarboxylate
Basic information
- CAS
92687-41-7- Standard SMILES
CCOC(=O)C1=C(C(=O)OCC)CCCC1- InChIKey
NUJPHNDDJUTHKM-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- Diethyl cyclohex-1-ene-1,2-dicarboxylate
- IUPAC
- diethyl cyclohexene-1,2-dicarboxylate
- English name
- Diethyl 1-cyclohexene-1,2-dicarboxylate
- Molecular formula
- C12H18O4
- Molecular weight
- 226.27
Names & synonyms
92687-41-7Diethyl cyclohex-1-ene-1,2-dicarboxylateSCHEMBL234027DTXSID30601645Diethyl 1-cyclohexene-1,2-dicarboxylate1-Cyclohexene-1,2-dicarboxylic acid diethyl ester1-Cyclohexene-1,2-dicarboxylic acid, 1,2-diethyl ester
Database identifiers
- CAS
92687-41-7- PubChem CID
- 19980693
- DTXSID
DTXSID30601645- Nikkaji
- J160.544E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 327.88 °C · 327.88°C (rough estimate)
- Density
- 1.0803 · 1.0803
- refractive index
- 1.4747 · 1.4747 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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