2-Benzyl-2-ethylbutanoic acid
Basic information
- CAS
5343-57-7- Standard SMILES
CCC(CC)(Cc1ccccc1)C(=O)O- InChIKey
UZFOEXICQDPNLN-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 2-Benzyl-2-ethylbutanoic acid
- IUPAC
- 2-benzyl-2-ethylbutanoic acid
Names & synonyms
2-BENZYL-2-ETHYLBUTANOIC ACID5343-57-7NSC471SCHEMBL11529107DTXSID40968099NSC-471AKOS012033540
Database identifiers
- CAS
5343-57-7- PubChem CID
- 219318
- DTXSID
DTXSID40968099
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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