Basic information
- CAS
53907-95-2- Standard SMILES
CCC(C)OCC(C)O- InChIKey
KJOVIRMWPFJSTR-UHFFFAOYSA-N- Molecular formula
- C7H16O2
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.11502975
Names & identifiers
- Preferred name
- 1-(1-Methylpropoxy)-2-propanol
- IUPAC
- 1-butan-2-yloxypropan-2-ol
- English name
- 1-(1-Methylpropoxy)-2-propanol
- Molecular formula
- C7H16O2
- Molecular weight
- 132.2
Names & synonyms
1-(1-METHYLPROPOXY)-2-PROPANOL53907-95-2RefChem:222563SCHEMBL1476173SCHEMBL4940979SCHEMBL6433462SCHEMBL6435835DTXSID209686981-[(Butan-2-yl)oxy]propan-2-olAKOS011072488DB-3003402-Propanol, 1-(1-methylpropoxy)-
Database identifiers
- CAS
53907-95-2- PubChem CID
- 40925
- DTXSID
DTXSID20968698- Nikkaji
- J130.638C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 63.9
Physicochemical properties
- Boiling point
- 167.9 · 167.9±8.0 °C(Predicted)
- Density
- 0.889 · 0.889±0.06 g/cm3(Predicted)
- pka
- 14.46 · 14.46±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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