Basic information
- CAS
683276-33-7- Standard SMILES
CC#CC1=C[C@@H]2OC(C)(C)O[C@@H]2C1=O- InChIKey
PLDQKOVRHBYLBJ-WPRPVWTQSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- (3aS,6aS)-2,2-dimethyl-5-prop-1-ynyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
- IUPAC
- (3aS,6aS)-2,2-dimethyl-5-prop-1-ynyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
- English name
- 4H-Cyclopenta-1,3-dioxol-4-one,3a,6a-dihydro-2,2-dimethyl-5-(1-propynyl)-,(3aS,6aS)-(9CI)
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
4H-Cyclopenta-1,3-dioxol-4-one, 3a,6a-dihydro-2,2-dimethyl-5-(1-propyn-1-yl)-, (3aS,6aS)-4H-Cyclopenta-1,3-dioxol-4-one,3a,6a-dihydro-2,2-dimethyl-5-(1-propynyl)-,(3aS,6aS)-(9CI)
Database identifiers
- CAS
683276-33-7- PubChem CID
- 131857535
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 378
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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