Basic information
- CAS
63791-88-8- Standard SMILES
CCOC(=O)C(C(C)C)C(C)(C)C- InChIKey
RSBMHLDDEJRKMZ-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- Butanoic acid, 3,3-dimethyl-2-(1-methylethyl), ethyl ester
- IUPAC
- ethyl 3,3-dimethyl-2-propan-2-ylbutanoate
Names & synonyms
Butanoic acid, 3,3-dimethyl-2-(1-methylethyl), ethyl ester63791-88-8DTXSID70335199RefChem:330745DTXCID20286288ethyl 3,3-dimethyl-2-(propan-2-yl)butanoateButanoic acid, 2-isopropyl-3,3-dimethyl, ethyl esterSCHEMBL15034664
Database identifiers
- CAS
63791-88-8- PubChem CID
- 523552
- DTXSID
DTXSID70335199- Nikkaji
- J3.751.911A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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