Basic information
- CAS
75179-55-4- Standard SMILES
CC(C)(C)O.O- InChIKey
ZQXSFZAMFNRZOQ-UHFFFAOYSA-N- Molecular formula
- C4H12O2
- Average molar mass
- 92.14 g/mol
- Monoisotopic mass
- 92.08372962
Names & identifiers
- Preferred name
- 2-Methylpropan-2-ol--water (1/1)
- IUPAC
- 2-methylpropan-2-ol;hydrate
Names & synonyms
75179-55-4DTXSID708229582-Methylpropan-2-ol--water (1/1)RefChem:263939DTXCID80773700water tert-butyl alcoholt-butanol watert-butanol-waterwater t-butanoltBuOH watertert-BuOH waterwater tert-BuOH
Show more names
t-butanol hydrateWater tBuOHt-BuOH watertert-butanol waterwater t-BuOHwater tert-butanolt-butanol H2Otert-Butanol H2O
Database identifiers
- CAS
75179-55-4- PubChem CID
- 71401949
- DTXSID
DTXSID70822958
Properties
Computed structural properties
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 25.1
Related reactions
169 records
Compound notes
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