Basic information
- CAS
4197-74-4- Standard SMILES
CCCCCCc1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1- InChIKey
QFBUFVQEYCRCEQ-UHFFFAOYSA-N- Molecular formula
- C26H26O4
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.18310931
Names & identifiers
- Preferred name
- 2-Hexylbenzene-1,4-diyl dibenzoate
- IUPAC
- (4-benzoyloxy-3-hexylphenyl) benzoate
Names & synonyms
4197-74-42-hexylbenzene-1,4-diyl dibenzoateNSC99316DTXSID202950172-Hexyl-1,4-phenylene dibenzoateNSC-99316
Database identifiers
- CAS
4197-74-4- PubChem CID
- 264276
- DTXSID
DTXSID20295017
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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