bis (tert-Butyl) isophthalate
Basic information
- CAS
33813-32-0- Standard SMILES
CC(C)(C)OC(=O)c1cccc(C(=O)OC(C)(C)C)c1- InChIKey
JCBDRGVENJADNA-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- bis (tert-Butyl) isophthalate
- IUPAC
- ditert-butyl benzene-1,3-dicarboxylate
- English name
- Bis (tert-butyl) isophthalate
- Molecular formula
- C16H22O4
- Molecular weight
- 278.34
Names & synonyms
bis (tert-Butyl) isophthalate33813-32-0DI-TERT-BUTYL ISOPHTHALATEditert-butyl benzene-1,3-dicarboxylate1,3-Benzenedicarboxylic acid, bis(1,1-dimethylethyl) esterNSC243724di-t-butyl isophthalatebis(t-butyl) isophthalateSCHEMBL110296SCHEMBL3058617SCHEMBL3060288SCHEMBL6950110
Show more names
1,3-Bis(1,1-dimethylethyl) 1,3-benzenedicarboxylate1,3-Benzenedicarboxylic acid, 1,3-bis(1,1-dimethylethyl) ester
DTXSID60330315JCBDRGVENJADNA-UHFFFAOYSA-NMFCD03840744AKOS015960818AB16592NSC-243724Di-tert-butyl benzene-1,3-dicarboxylateAC-12322
Database identifiers
- CAS
33813-32-0- PubChem CID
- 428835
- DTXSID
DTXSID60330315- Nikkaji
- J779.537H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 346.1 · 346.1±15.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
Related reactions
1 records
Compound notes
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