2-Ethylbutyl 2-methylbenzoate
Basic information
- CAS
6641-68-5- Standard SMILES
CCC(CC)COC(=O)c1ccccc1C- InChIKey
IXHMTIFYRWQUSW-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 2-Ethylbutyl 2-methylbenzoate
- IUPAC
- 2-ethylbutyl 2-methylbenzoate
Names & synonyms
6641-68-52-ethylbutyl 2-methylbenzoateNSC17928DTXSID80280686NSC-17928
Database identifiers
- CAS
6641-68-5- PubChem CID
- 226941
- DTXSID
DTXSID80280686
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
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Compound notes
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