Dimethyl 2-(dodec-1-en-1-yl)butanedioate
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Basic information
- CAS
83826-12-4- Standard SMILES
CCCCCCCCCCC=CC(CC(=O)OC)C(=O)OC- InChIKey
YUNSHPNVUOJMTL-UHFFFAOYSA-N- Molecular formula
- C18H32O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.2300595
Names & identifiers
- Preferred name
- Dimethyl 2-(dodec-1-en-1-yl)butanedioate
- IUPAC
- dimethyl 2-dodec-1-enylbutanedioate
- English name
- DODECENYLSUCCINIC ACID DIMETHYL ESTER
- Molecular formula
- C18H32O4
- Molecular weight
- 312.44
Names & synonyms
83826-12-4SCHEMBL720264DTXSID50711977Dimethyl 2-(dodec-1-en-1-yl)butanedioateDodecenylaciddimethylesterDIMETHYL DODECENYLSUCCINATEDodecenyl acid dimethyl esterDODECENYLSUCCINIC ACID DIMETHYL ESTERdodecenylsuccinicaciddimethylester95+%Butanedioic acid, 2-(2-dodecen-1-yl)-, 1,4-dimethyl ester
Database identifiers
- CAS
83826-12-4- PubChem CID
- 54528096
- DTXSID
DTXSID50711977
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 168 °C · 168 °C / 3mmHg
- Density
- 0.96 · 0.96
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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