Basic information
- Standard SMILES
C[C@@H](COC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
DEQPYOMJXPVMPD-VIFPVBQESA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
Names & identifiers
- Preferred name
- (S)-(+)tert. Butyl 3-tert. butoxy-2-methylpropionate
- IUPAC
- tert-butyl (2S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
Names & synonyms
SCHEMBL11550254DEQPYOMJXPVMPD-VIFPVBQESA-N(S)-(+)-tert. Butyl 3-tert. butoxy-2-methylpropionate(S)-(+)tert. Butyl 3-tert. butoxy-2-methylpropionate
Database identifiers
- PubChem CID
- 12923317
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
3 records
Compound notes
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