Bis(7-methyloctyl) but-2-enedioate
Basic information
- CAS
53817-54-2- Standard SMILES
CC(C)CCCCCCOC(=O)/C=C/C(=O)OCCCCCCC(C)C- InChIKey
CBWMVXMQKDYZDQ-FOCLMDBBSA-N- Molecular formula
- C22H40O4
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.29265975
Names & identifiers
- Preferred name
- Bis(7-methyloctyl) but-2-enedioate
- IUPAC
- bis(7-methyloctyl) (E)-but-2-enedioate
Names & synonyms
2-Butenedioic acid (2Z)-, diisononyl esterSCHEMBL3677902DTXSID3068883Bis(7-methyloctyl) but-2-enedioate
Database identifiers
- CAS
53817-54-2- PubChem CID
- 6504441
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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