3-Phenylpropyl 2-methylpentanoate
Basic information
- CAS
5448-39-5- Standard SMILES
CCCC(C)C(=O)OCCCc1ccccc1- InChIKey
CSBSOCYLNUYXTI-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 3-Phenylpropyl 2-methylpentanoate
- IUPAC
- 3-phenylpropyl 2-methylpentanoate
Names & synonyms
3-phenylpropyl 2-methylpentanoate5448-39-5NSC17942DTXSID10280694NSC-17942
Database identifiers
- CAS
5448-39-5- PubChem CID
- 226953
- DTXSID
DTXSID10280694
Properties
Computed structural properties
- XLogP
- 4.4
- 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
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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