Basic information
- CAS
7498-50-2- Standard SMILES
CCC(C(=O)O)(C(C)C)C(C)C- InChIKey
NEUDVMDTBHSZIW-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 2-Ethyl-3-methyl-2-(propan-2-yl)butanoic acid
- IUPAC
- 2-ethyl-3-methyl-2-propan-2-ylbutanoic acid
Names & synonyms
7498-50-2NSC4075472-Ethyl-3-methyl-2-(propan-2-yl)butanoic acidSCHEMBL9952000DTXSID40324691NEUDVMDTBHSZIW-UHFFFAOYSA-NNSC-407547
Database identifiers
- CAS
7498-50-2- PubChem CID
- 348288
- DTXSID
DTXSID40324691
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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