Basic information
- Standard SMILES
COC(=O)[C@@H](C)COC(C)(C)C- InChIKey
OSYBWQMKPDQATQ-ZETCQYMHSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Names & identifiers
- Preferred name
- methyl (S)-3-t-butoxy-2-methylpropionate
- IUPAC
- methyl (2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
Names & synonyms
SCHEMBL12171679OSYBWQMKPDQATQ-ZETCQYMHSA-Nmethyl (S)-3-t-butoxy-2-methylpropionate
Database identifiers
- PubChem CID
- 12923319
- Nikkaji
- J3.396.713F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Related reactions
1 records
Compound notes
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