Basic information
- CAS
822-83-3- Standard SMILES
CC(C)C1OCCO1- InChIKey
SMYRHRFGKYUCFB-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Overview
2-isopropyl-1,3-dioxolane is a dioxolane that is 1,3-dioxolane substituted by an isopropyl group at position 2. It has a role as a metabolite. It derives from a hydride of a 1,3-dioxolane.
Names & identifiers
- Preferred name
- 2-Isopropyl-1,3-dioxolane
- IUPAC
- 2-propan-2-yl-1,3-dioxolane
- English name
- 2-propan-2-yl-1,3-dioxolane
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
2-ISOPROPYL-1,3-DIOXOLANE2-(propan-2-yl)-1,3-dioxolane1,3-Dioxolane, 2-isopropyl-1,3-Dioxolane, 2-(1-methylethyl)-2-Isopropyldioxolane2-(1-Methylethyl)-1,3-dioxolaneCHEBI:87317DTXSID50231620NSC 139442RefChem:87720DTXCID80154111InChI=1/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H
Show more names
2-Methylpropanal ethylene acetal
SMYRHRFGKYUCFB-UHFFFAOYSA-N822-83-32-propan-2-yl-1,3-dioxolaneNSC-139442NSC1394421, 2-isopropyl-AWV7Z4N6FJSCHEMBL3079746
Database identifiers
- CAS
822-83-3- PubChem CID
- 13201
- DTXSID
DTXSID50231620- ChEBI
CHEBI:87317- UNII
- AWV7Z4N6FJ
- Nikkaji
- J132.814J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.9
Physicochemical properties
- Boiling point
- 117 · 117-121 °C
- Density
- 0.9379 g/cm3 · 0.9379 g/cm3
Chemistry & industry
Suppliers3 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
Additional notes
DefinitionChEBI: A dioxolane that is 1,3-dioxolane substituted by an isopropyl group at position 2.
Related reactions
1 records
Compound notes
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