1,2-Di-2-propen-1-yl 4-cyclohexene-1,2-dicarboxylate
Basic information
- CAS
7495-85-4- Standard SMILES
C=CCOC(=O)C1CC=CCC1C(=O)OCC=C- InChIKey
JJSLFARHVQTZQN-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- 1,2-Di-2-propen-1-yl 4-cyclohexene-1,2-dicarboxylate
- IUPAC
- bis(prop-2-enyl) cyclohex-4-ene-1,2-dicarboxylate
- English name
- diallyl tetrahydrophthalate
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
7495-85-4RefChem:10522151,2-Di-2-propen-1-yl 4-cyclohexene-1,2-dicarboxylateDiallyl 4-cyclohexene-1,2-dicarboxylateDiallyl tetrahydrophthalateEINECS 231-348-3NSC 407780bis(prop-2-enyl) cyclohex-4-ene-1,2-dicarboxylateBRN 2281986AI3-222804-Cyclohexene-1,2-dicarboxylic acid, diallyl ester4-Cyclohexene-1,2-dicarboxylic acid, di-2-propenyl ester
Show more names
4-Cyclohexene-1,2-dicarboxylic acid di-2-propenyl ester4-Cyclohexene-1,2-dicarboxylic acid bis(2-propenyl) ester
3-09-00-03945 (Beilstein Handbook Reference)SCHEMBL4721074-Cyclohexene-1, diallyl esterDTXSID20996451JJSLFARHVQTZQN-UHFFFAOYSA-NMFCD01735134NSC407780WLN: L6UTJ DVO2U1 EVO2U1
Database identifiers
- CAS
7495-85-4- PubChem CID
- 101155
- DTXSID
DTXSID20996451- EC Number
- 231-348-3
- Nikkaji
- J48.237D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 329.579 · 329.579±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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