Bis[2,2-bis(hydroxymethyl)butyl] benzene-1,4-dicarboxylate
Basic information
- CAS
83156-41-6- Standard SMILES
CCC(CO)(CO)COC(=O)c1ccc(C(=O)OCC(CC)(CO)CO)cc1- InChIKey
JAIHTRMVYRKSER-UHFFFAOYSA-N- Molecular formula
- C20H30O8
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.19406791
Names & identifiers
- Preferred name
- Bis[2,2-bis(hydroxymethyl)butyl] benzene-1,4-dicarboxylate
- IUPAC
- bis[2,2-bis(hydroxymethyl)butyl] benzene-1,4-dicarboxylate
Names & synonyms
83156-41-6Bis[2,2-bis(hydroxymethyl)butyl] benzene-1,4-dicarboxylateSCHEMBL6906425DTXSID20707867
Database identifiers
- CAS
83156-41-6- PubChem CID
- 53944827
- DTXSID
DTXSID20707867- Nikkaji
- J3.437.598D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 433
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Compound notes
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