Basic information
- CAS
4336-19-0- Standard SMILES
COC(=O)C1=C(C(=O)OC)CCCC1- InChIKey
APGUUZNLMFETAH-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- 1-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester
- IUPAC
- dimethyl cyclohexene-1,2-dicarboxylate
- English name
- 1-Cyclohexene-1,2-dicarboxylic acid dimethyl ester
- Molecular formula
- C10H14O4
- Molecular weight
- 198.22
Names & synonyms
4336-19-01-Cyclohexene-1,2-dicarboxylic acid, dimethyl esterDTXSID70195831RefChem:1055287DTXCID101183221-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl esterTetrahydrophthalic acid dimethyl esterBRN 2050919Dimethylester kyseliny tetrahydroftalove [Czech]Dimethylester kyseliny tetrahydroftalovedicarbomethoxycyclohexenedimethyl cyclohex-1-ene-1,2-dicarboxylate
Show more names
1-Cyclohexene-1,2-dicarboxylic acid dimethyl ester4-09-00-02889 (Beilstein Handbook Reference)SCHEMBL2131145Dimethylcyclohex-1-ene-1,2-dicarboxylatecyclohexene-1,2-dicarboxylic acid dimethyl ester
Database identifiers
- CAS
4336-19-0- PubChem CID
- 78039
- DTXSID
DTXSID70195831- Nikkaji
- J34.014F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 310 °C · 310°C (estimate)
- Density
- 1.0143 · 1.0143 (rough estimate)
- refractive index
- 1.472 · 1.4720 (estimate)
Related reactions
2 records
Compound notes
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