Basic information
- CAS
92572-53-7- Standard SMILES
C=CCC1(C)SC(C(C)(C)C)OC1=O- InChIKey
MLRWYEHVROZFHV-UHFFFAOYSA-N- Molecular formula
- C11H18O2S
- Average molar mass
- 214.33 g/mol
- Monoisotopic mass
- 214.10275099
Names & identifiers
- Preferred name
- 1,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-
- IUPAC
- 2-tert-butyl-4-methyl-4-prop-2-enyl-1,3-oxathiolan-5-one
Names & synonyms
92572-53-71,3-Oxathiolan-5-one, 2-(1,1-dimethylethyl)-4-methyl-4-(2-propenyl)-DTXSID30338222RefChem:219378DTXCID102893094-Allyl-2-t-butyl-4-methyl-1,3-oxathiolan-5-oneMLRWYEHVROZFHV-UHFFFAOYSA-N4-Allyl-2-tert-butyl-4-methyl-1,3-oxathiolan-5-one #2-TERT-BUTYL-4-METHYL-4-(PROP-2-EN-1-YL)-1,3-OXATHIOLAN-5-ONE
Database identifiers
- CAS
92572-53-7- PubChem CID
- 547710
- DTXSID
DTXSID30338222
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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