3-(2-Methylpropanoyloxy)butan-2-yl 2-methylpropanoate
Basic information
- CAS
5451-74-1- Standard SMILES
CC(C)C(=O)OC(C)C(C)OC(=O)C(C)C- InChIKey
RHWMVKOPNPKKPF-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- 3-(2-Methylpropanoyloxy)butan-2-yl 2-methylpropanoate
- IUPAC
- 3-(2-methylpropanoyloxy)butan-2-yl 2-methylpropanoate
Names & synonyms
5451-74-13-(2-methylpropanoyloxy)butan-2-yl 2-methylpropanoatebutane-2,3-diyl bis(2-methylpropanoate)NSC21855DTXSID60281510NSC-21855
Database identifiers
- CAS
5451-74-1- PubChem CID
- 228744
- DTXSID
DTXSID60281510
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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