Basic information
- CAS
16047-99-7- Standard SMILES
CC(C)C1(C(C)C)OCCS1- InChIKey
OBNXFRXTSJYKSV-UHFFFAOYSA-N- Molecular formula
- C9H18OS
- Average molar mass
- 174.31 g/mol
- Monoisotopic mass
- 174.10783637
Names & identifiers
- Preferred name
- 1,3-Oxathiolane, 2,2-diisopropyl-
- IUPAC
- 2,2-di(propan-2-yl)-1,3-oxathiolane
- English name
- 2,2-Diisopropyl-1,3-oxathiolane
- Molecular formula
- C9H18OS
- Molecular weight
- 174.3
Names & synonyms
2,2-Diisopropyl-1,3-oxathiolane1,3-OXATHIOLANE, 2,2-DIISOPROPYL-16047-99-7BRN 1421733DTXSID101668885-19-01-00146 (Beilstein Handbook Reference)RefChem:219380DTXCID80893792,2-di(propan-2-yl)-1,3-oxathiolane2,2-Bis(1-methylethyl)-1,3-oxathiolane1,3-Oxathiolane, 2,2-bis(1-methylethyl)- (9CI)
Database identifiers
- CAS
16047-99-7- PubChem CID
- 27656
- DTXSID
DTXSID10166888- Nikkaji
- J49.919F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 225.5 · 225.5±33.0 °C(Predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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