3-Phenylpropyl 2-ethylbutanoate
Basic information
- CAS
6315-08-8- Standard SMILES
CCC(CC)C(=O)OCCCc1ccccc1- InChIKey
RIIHSWLVNNRVOK-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 3-Phenylpropyl 2-ethylbutanoate
- IUPAC
- 3-phenylpropyl 2-ethylbutanoate
Names & synonyms
3-phenylpropyl 2-ethylbutanoate6315-08-8DTXSID80281092RefChem:281844DTXCID80232246NSC20065RIIHSWLVNNRVOK-UHFFFAOYSA-NNSC-200652-Ethylbutyric acid, 3-phenylpropyl ester
Database identifiers
- CAS
6315-08-8- PubChem CID
- 227901
- DTXSID
DTXSID80281092
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 203
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Compound notes
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