2-Ethylbutyl 4-propan-2-ylbenzoate
Basic information
- CAS
6937-55-9- Standard SMILES
CCC(CC)COC(=O)c1ccc(C(C)C)cc1- InChIKey
AVPXJPWCHRWRFW-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- 2-Ethylbutyl 4-propan-2-ylbenzoate
- IUPAC
- 2-ethylbutyl 4-propan-2-ylbenzoate
Names & synonyms
6937-55-92-ethylbutyl 4-propan-2-ylbenzoate2-ethylbutyl 4-(propan-2-yl)benzoateNSC20072DTXSID80281097NSC-20072
Database identifiers
- CAS
6937-55-9- PubChem CID
- 227908
- DTXSID
DTXSID80281097
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
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Compound notes
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