Basic information
- CAS
119450-13-4- Standard SMILES
CCCCCOC(=O)CCC(=O)OCc1ccccc1- InChIKey
GVUYTZKKCMNYGB-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- Butanedioic acid, pentyl phenylmethyl ester
- IUPAC
- 4-O-benzyl 1-O-pentyl butanedioate
Names & synonyms
Butanedioic acid, pentyl phenylmethyl ester119450-13-4Pentyl benzyl succinateBenzyl pentyl butanedioate1-Benzyl 4-pentyl succinate1-Benzyl 4-pentyl succinate #SCHEMBL16344694DTXSID10335991GVUYTZKKCMNYGB-UHFFFAOYSA-N
Database identifiers
- CAS
119450-13-4- PubChem CID
- 528267
- DTXSID
DTXSID10335991
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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