Basic information
- CAS
71010-75-8- Standard SMILES
CCCCCCCCCC(=O)OCC(COCC(CO)(CO)COC(=O)CCCC)(COC(=O)CCCCCC)COC(=O)CCCCCCC- InChIKey
BHGLOIRUBLRHKK-UHFFFAOYSA-N- Molecular formula
- C40H74O11
- Average molar mass
- 731 g/mol
- Monoisotopic mass
- 730.52311317
Names & identifiers
- Preferred name
- [2-[[2,2-Bis(hydroxymethyl)-3-pentanoyloxypropoxy]methyl]-2-(heptanoyloxymethyl)-3-octanoyloxypropyl] decanoate
- IUPAC
- [2-[[2,2-bis(hydroxymethyl)-3-pentanoyloxypropoxy]methyl]-2-(heptanoyloxymethyl)-3-octanoyloxypropyl] decanoate
Database identifiers
- CAS
71010-75-8- PubChem CID
- 3085447
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 40
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 890
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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