Dodecyl 3-phenylpropanoate
Basic information
- CAS
112715-88-5- Standard SMILES
CCCCCCCCCCCCOC(=O)CCc1ccccc1- InChIKey
ZOKHYZTWHSXALP-UHFFFAOYSA-N- Molecular formula
- C21H34O2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.25588032
Names & identifiers
- Preferred name
- Dodecyl 3-phenylpropanoate
- IUPAC
- dodecyl 3-phenylpropanoate
Names & synonyms
Dodecyl 3-phenylpropanoate3-phenyl-propionic acid dodecyl esterBenzenepropanoic acid, dodecyl ester112715-88-5Dodecyl 3-phenylpropanoate #SCHEMBL27477568DTXSID30340986ZOKHYZTWHSXALP-UHFFFAOYSA-N
Database identifiers
- CAS
112715-88-5- PubChem CID
- 569015
- DTXSID
DTXSID30340986- Nikkaji
- J1.631.675J
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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