Basic information
- CAS
63979-52-2- Standard SMILES
CCC(CC)C1(C)OCC(CO)O1- InChIKey
CHXCDXZCMNASDF-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- 1,3-Dioxolane-4-methanol, 2-methyl-2-s-pentyl-
- IUPAC
- (2-methyl-2-pentan-3-yl-1,3-dioxolan-4-yl)methanol
- English name
- 2-Methyl-2-(1-methylbutyl)-1,3-dioxolane-4-methanol
- Molecular formula
- C10H20O3
- Molecular weight
- 188.26
Names & synonyms
BRN 01081872-Methyl-2-s-pentyl-1,3-dioxolane-4-methanol63979-52-21,3-DIOXOLANE-4-METHANOL, 2-METHYL-2-s-PENTYL-4-19-00-00682 (Beilstein Handbook Reference)RefChem:219003DTXSID80981545[2-METHYL-2-(PENTAN-3-YL)-1,3-DIOXOLAN-4-YL]METHANOL2-Methyl-2-(1-methylbutyl)-1,3-dioxolane-4-methanol1,3-Dioxolane-4-methanol, 2-methyl-2-(1-methylbutyl)-
Database identifiers
- CAS
63979-52-2- PubChem CID
- 45919
- DTXSID
DTXSID80981545
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 252.7 · 252.7±15.0 °C(Predicted)
- Density
- 0.975 · 0.975±0.06 g/cm3(Predicted)
- pka
- 14.2 · 14.20±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…