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Basic information
- CAS
5694-80-4- Standard SMILES
CCC1(CC)OCC(CO)O1- InChIKey
WEIVFXLGBXCVEF-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 2,2-Diethyl-1,3-dioxolane-4-methanol
- IUPAC
- (2,2-diethyl-1,3-dioxolan-4-yl)methanol
- English name
- 2,2-Diethyl-1,3-dioxolane-4-methanol
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
2,2-Diethyl-1,3-dioxolane-4-methanol5694-80-41,3-DIOXOLANE-4-METHANOL, 2,2-DIETHYL-RefChem:1059090(2,2-diethyl-1,3-dioxolan-4-yl)methanolBRN 0106116SCHEMBL714279DTXSID50972389WEIVFXLGBXCVEF-UHFFFAOYSA-NDB-087401EN300-1614564
Database identifiers
- CAS
5694-80-4- PubChem CID
- 21902
- DTXSID
DTXSID50972389- Nikkaji
- J42.139A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 95 °C · 95 °C(Press: 4 Torr)
- Density
- 1.033 g/cm3 · 1.033 g/cm3(Temp: 21 °C)
- pka
- 14.2 · 14.20±0.10(Predicted)
Related reactions
3 records
Compound notes
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