Basic information
- CAS
4096-49-5- Standard SMILES
O=C(OC(COCc1ccccc1)C(OCc1ccccc1)C(OCc1ccccc1)C(OCc1ccccc1)OCc1ccccc1)c1ccccc1- InChIKey
KEALHVFOMIRYCJ-UHFFFAOYSA-N- Molecular formula
- C47H46O7
- Average molar mass
- 722.9 g/mol
- Monoisotopic mass
- 722.3243538
Names & identifiers
- Preferred name
- 1,3,4,5,5-Pentakis(phenylmethoxy)pentan-2-yl benzoate
- IUPAC
- 1,3,4,5,5-pentakis(phenylmethoxy)pentan-2-yl benzoate
Names & synonyms
NSC81028NSC-810284096-49-5
Database identifiers
- CAS
4096-49-5- PubChem CID
- 255459
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 22
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 949
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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