Basic information
- CAS
6632-58-2- Standard SMILES
Cc1ccc(OC(=O)CCC(=O)Oc2ccc(C)cc2C)c(C)c1- InChIKey
SMKYTFIJWCVBOG-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Names & identifiers
- Preferred name
- Bis(2,4-dimethylphenyl) butanedioate
- IUPAC
- bis(2,4-dimethylphenyl) butanedioate
Names & synonyms
6632-58-2MLS002638551bis(2,4-dimethylphenyl) butanedioateHMS3091L07NSC17500CHEMBL1731275SCHEMBL18124424DTXSID40280581NSC-17500SMR001548025
Database identifiers
- CAS
6632-58-2- PubChem CID
- 226752
- DTXSID
DTXSID40280581- ChEMBL
CHEMBL1731275
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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