1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate
Basic information
- CAS
84864-66-4- Standard SMILES
CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)OCCCCCCCCCC- InChIKey
XANWHXYTNWDVPG-UHFFFAOYSA-N- Molecular formula
- C37H62O6
- Average molar mass
- 602.9 g/mol
- Monoisotopic mass
- 602.45463969
Names & identifiers
- Preferred name
- 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate
- IUPAC
- 1-O,2-O-didecyl 4-O-octyl benzene-1,2,4-tricarboxylate
Names & synonyms
SCHEMBL316163DTXSID40891257XANWHXYTNWDVPG-UHFFFAOYSA-NNS00060155
Database identifiers
- CAS
84864-66-4- PubChem CID
- 3020186
- DTXSID
DTXSID40891257- Nikkaji
- J333.589E
Properties
Computed structural properties
- XLogP
- 13.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 31
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 693
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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