3,3-Dimethoxybutan-2-ol
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Basic information
- CAS
2371-17-7- Standard SMILES
COC(C)(OC)C(C)O- InChIKey
DXWNUMKRJFXZMZ-UHFFFAOYSA-N- Molecular formula
- C6H14O3
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.09429431
Overview
See also: 2-Butanol, 3,3-dimethoxy- (annotation moved to).
Names & identifiers
- Preferred name
- 3,3-Dimethoxybutan-2-ol
- IUPAC
- 3,3-dimethoxybutan-2-ol
- English name
- 3,3-dimethoxybutan-2-ol
- Molecular formula
- C6H14O3
- Molecular weight
- 134.17
Names & synonyms
3,3-Dimethoxybutan-2-ol2371-17-7EINECS 219-141-63,3-dimethoxy-2-butanolSCHEMBL7928068DTXSID00946515NS000493902-Butanol, 3,3-dimethoxy-
Database identifiers
- CAS
2371-17-7- PubChem CID
- 102794
- DTXSID
DTXSID00946515- EC Number
- 219-141-6
- Nikkaji
- J213.231A
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 78.4
Physicochemical properties
- Boiling point
- 53 · 53-55 °C(Press: 12 Torr)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- pka
- 15.21 · 15.21±0.20(Predicted)
Related reactions
2 records
Compound notes
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