Basic information
- CAS
111044-61-2- Standard SMILES
CC(C)CC(C)COC(=O)c1ccccc1C(=O)OCC(C)CC(C)C- InChIKey
PPRBHCDIMAJLMN-UHFFFAOYSA-N- Molecular formula
- C22H34O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.24570956
Names & identifiers
- Preferred name
- Bis(2,4-dimethylpentyl) benzene-1,2-dicarboxylate
- IUPAC
- bis(2,4-dimethylpentyl) benzene-1,2-dicarboxylate
Names & synonyms
Bis(2,4-dimethylpentyl) benzene-1,2-dicarboxylateSCHEMBL3685226DTXSID60880547PPRBHCDIMAJLMN-UHFFFAOYSA-N111044-61-2
Database identifiers
- CAS
111044-61-2- PubChem CID
- 54201633
- DTXSID
DTXSID60880547
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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