2-Methylpentyl phenylacetate
Basic information
- CAS
6282-26-4- Standard SMILES
CCCC(C)COC(=O)Cc1ccccc1- InChIKey
XJDNBVOLMRQJQX-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 2-Methylpentyl phenylacetate
- IUPAC
- 2-methylpentyl 2-phenylacetate
Names & synonyms
NSC70496282-26-42-methylpentyl phenylacetateSCHEMBL19024830DTXSID00278348NSC-7049
Database identifiers
- CAS
6282-26-4- PubChem CID
- 221933
- DTXSID
DTXSID00278348
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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