Basic information
- CAS
68130-49-4- Standard SMILES
CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC1CCCCC1- InChIKey
GULVUHANCCJWSS-QGZVFWFLSA-N- Molecular formula
- C22H32O4
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.2300595
Names & identifiers
- Preferred name
- 2-O-cyclohexyl 1-O-[(2R)-2-ethylhexyl] benzene-1,2-dicarboxylate
- IUPAC
- 2-O-cyclohexyl 1-O-[(2R)-2-ethylhexyl] benzene-1,2-dicarboxylate
Database identifiers
- CAS
68130-49-4- PubChem CID
- 3085366
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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