Bis(octadec-9-enyl) hexanedioate
Basic information
- CAS
40677-77-8- Standard SMILES
CCCCCCCCC=CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC=CCCCCCCCC- InChIKey
QZULIRBSQUIUTA-UHFFFAOYSA-N- Molecular formula
- C42H78O4
- Average molar mass
- 647.1 g/mol
- Monoisotopic mass
- 646.59001097
Names & identifiers
- Preferred name
- Bis(octadec-9-enyl) hexanedioate
- IUPAC
- bis(octadec-9-enyl) hexanedioate
Names & synonyms
Dioleyl adipateQZULIRBSQUIUTA-UHFFFAOYSA-N
Database identifiers
- CAS
40677-77-8- PubChem CID
- 170407
- EC Number
- 255-034-0
Properties
Computed structural properties
- XLogP
- 16.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 39
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…