1-O-[4-[4-(4-methylpentoxy)-4-oxobut-2-enoyl]oxybutyl] 4-O-(4-methylpentyl) but-2-enedioate
Basic information
- CAS
63450-28-2- Standard SMILES
CC(C)CCCOC(=O)C=CC(=O)OCCCCOC(=O)C=CC(=O)OCCCC(C)C- InChIKey
SLBPRXCMHSPKKO-UHFFFAOYSA-N- Molecular formula
- C24H38O8
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.25666817
Names & identifiers
- Preferred name
- 1-O-[4-[4-(4-methylpentoxy)-4-oxobut-2-enoyl]oxybutyl] 4-O-(4-methylpentyl) but-2-enedioate
- IUPAC
- 1-O-[4-[4-(4-methylpentoxy)-4-oxobut-2-enoyl]oxybutyl] 4-O-(4-methylpentyl) but-2-enedioate
Database identifiers
- CAS
63450-28-2- PubChem CID
- 113202
- DTXSID
DTXSID1069825
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…