(3aR,6R,6aR)-6-ethenyl-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one
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Basic information
- CAS
698999-19-8- Standard SMILES
C=C[C@H]1CC(=O)[C@@H]2OC(C)(C)O[C@H]12- InChIKey
ACIYIFAXEVPMOB-ZQARSLAVSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Names & identifiers
- Preferred name
- (3aR,6R,6aR)-6-ethenyl-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one
- IUPAC
- (3aR,6R,6aR)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
- English name
- (3aR,6R,6aR)-6-ethenyl-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
698999-19-8(3aR,6R,6aR)-6-ethenyl-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-oneMFCD31696009SCHEMBL18571801(3aR,6R,6aR)-2,2-Dimethyl-6-vinyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-one(3ar,6r,6ar)-6-ethenyl-2,2-dimethylhexahydrocyclopenta[d][1,3]dioxol-4-oneBS-43321CS-0130131P18899(3aR,6R,6aR)-6-etSY513182F620653
Show more names
4H-Cyclopenta-1,3-dioxol-4-one, 6-ethenyltetrahydro-2,2-dimethyl-, (3aR,6R,6aR)-(3aR,6R,6aR)-2,2-Dimethyl-6-vinyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-one - [D89309]
(3aR,6R,6aR)-2,2-dimethyl-6-vinyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one(3aR,6R,6aR)-2,2-Dimethyl-6-vinyldihydro-3aH-cyclopenta[d][1,3]dioxol-4(5H)-one(3aR,6R,6aR)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
Database identifiers
- CAS
698999-19-8- PubChem CID
- 11458057
- Nikkaji
- J3.786.315G
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 286.6 · 286.6±40.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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