1-((4R,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethanone
Basic information
- CAS
1042237-51-3- Standard SMILES
C=C[C@H]1OC(C)(C)O[C@H]1C(C)=O- InChIKey
HVAZTGRTNBWWAM-SFYZADRCSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- 1-((4R,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethanone
- IUPAC
- 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
- English name
- Ethanone, 1-[(4R,5R)-5-ethenyl-2,2-diMethyl-1,3-dioxolan-4-yl]-
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
1042237-51-31-((4R,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethanoneEthanone, 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R,5R)-5-ETHENYL-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]ETHANONE1-[(4R,5R)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl]ethanoneCS-M0583MFCD19443200AKOS037649794CS-136611-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-one1-[(4R,5R)-5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-ethanone
Database identifiers
- CAS
1042237-51-3- PubChem CID
- 73014137
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 208
Physicochemical properties
- Boiling point
- 230.1 · 230.1±40.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
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Related reactions
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Compound notes
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