Basic information
- CAS
344296-59-9- Standard SMILES
CC(=O)C1(C)COC(C(C)C)O1- InChIKey
HMGVHGJNGOZDII-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methyl-2-propan-2-yl-1,3-dioxolan-4-yl)ethanone
- IUPAC
- 1-(4-methyl-2-propan-2-yl-1,3-dioxolan-4-yl)ethanone
- English name
- Ethanone, 1-[4-methyl-2-(1-methylethyl)-1,3-dioxolan-4-yl]- (9CI)
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
Ethanone, 1-[4-methyl-2-(1-methylethyl)-1,3-dioxolan-4-yl]-Ethanone, 1-[4-methyl-2-(1-methylethyl)-1,3-dioxolan-4-yl]- (9CI)
Database identifiers
- CAS
344296-59-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 220.2 · 220.2±35.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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