1-Butanol, 2-(diethoxymethyl)-2-ethyl-
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Basic information
- CAS
64037-39-4- Standard SMILES
CCOC(OCC)C(CC)(CC)CO- InChIKey
GDEOUXOJGKXLRX-UHFFFAOYSA-N- Molecular formula
- C11H24O3
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.17254462
Names & identifiers
- Preferred name
- 1-Butanol, 2-(diethoxymethyl)-2-ethyl-
- IUPAC
- 2-(diethoxymethyl)-2-ethylbutan-1-ol
- English name
- 2-(Diethoxymethyl)-2-ethyl-1-butanol
- Molecular formula
- C11H24O3
- Molecular weight
- 204.31
Names & synonyms
2-(Diethoxymethyl)-2-ethyl-1-butanolMC 26661-BUTANOL, 2-(DIETHOXYMETHYL)-2-ETHYL-64037-39-4DTXSID70214051RefChem:228800DTXCID701365422-(diethoxymethyl)-2-ethylbutan-1-olDB-312842MC-2666
Database identifiers
- CAS
64037-39-4- PubChem CID
- 46411
- DTXSID
DTXSID70214051- Nikkaji
- J64.669E
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 282.2 · 282.2±20.0 °C(Predicted)
- Density
- 0.925 · 0.925±0.06 g/cm3(Predicted)
- pka
- 14.84 · 14.84±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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