[1,1'-Biphenyl]-4,4'-diyl bis[4-({2-[(prop-2-en-1-yl)oxy]propanoyl}oxy)benzoate]
Basic information
- CAS
96692-37-4- Standard SMILES
C=CCOC(C)C(=O)Oc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(OC(=O)C(C)OCC=C)cc4)cc3)cc2)cc1- InChIKey
IEORQLILSFLFHC-UHFFFAOYSA-N- Molecular formula
- C38H34O10
- Average molar mass
- 650.7 g/mol
- Monoisotopic mass
- 650.21519728
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4,4'-diyl bis[4-({2-[(prop-2-en-1-yl)oxy]propanoyl}oxy)benzoate]
- IUPAC
- [4-[4-[4-(2-prop-2-enoxypropanoyloxy)benzoyl]oxyphenyl]phenyl] 4-(2-prop-2-enoxypropanoyloxy)benzoate
Names & synonyms
DTXSID701131889[1,1'-Biphenyl]-4,4'-diyl bis[4-({2-[(prop-2-en-1-yl)oxy]propanoyl}oxy)benzoate]96692-37-4Benzoic acid, 4-[1-oxo-2-(2-propenyloxy)propoxy]-, [1,1a(2)-biphenyl]-4,4a(2)-diyl ester
Database identifiers
- CAS
96692-37-4- PubChem CID
- 165342156
- DTXSID
DTXSID701131889
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 973
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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