Benzoic acid, 4-(decyloxy)-, 4-acetylphenyl ester
Basic information
- CAS
55097-88-6- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1- InChIKey
ZWWIRWVYCOKXLI-UHFFFAOYSA-N- Molecular formula
- C25H32O4
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.2300595
Names & identifiers
- Preferred name
- Benzoic acid, 4-(decyloxy)-, 4-acetylphenyl ester
- IUPAC
- (4-acetylphenyl) 4-decoxybenzoate
Names & synonyms
4-acetylphenyl 4-(decyloxy)benzoate55097-88-6Benzoic acid, 4-(decyloxy)-, 4-acetylphenyl esterDTXSID20395405STL327076AKOS0220976794-Decyloxy-benzoic acid 4-acetyl-phenyl ester
Database identifiers
- CAS
55097-88-6- PubChem CID
- 3714435
- DTXSID
DTXSID20395405
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 459
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
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Compound notes
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