Basic information
- CAS
119450-18-9- Standard SMILES
CCCCCCCCCCOC(=O)CCC(=O)OCc1ccccc1- InChIKey
NMPJZUHKNJYKSJ-UHFFFAOYSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Names & identifiers
- Preferred name
- Butanedioic acid, decyl phenylmethyl ester
- IUPAC
- 4-O-benzyl 1-O-decyl butanedioate
Names & synonyms
Butanedioic acid, decyl phenylmethyl ester119450-18-9Decyl benzyl succinateBenzyl decyl butanedioate1-Benzyl 4-decyl succinate1-Benzyl 4-decyl succinate #SCHEMBL15203975DTXSID40335984NMPJZUHKNJYKSJ-UHFFFAOYSA-N
Database identifiers
- CAS
119450-18-9- PubChem CID
- 528260
- DTXSID
DTXSID40335984
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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