(1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
Basic information
- CAS
20887-61-0- Standard SMILES
CC(C)(C)[C@H]1CCC[C@@H]2O[C@@H]21- InChIKey
SFXWZOTYAVHTJO-XHNCKOQMSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
- IUPAC
- (1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
Names & synonyms
20887-61-07-Oxabicyclo(4.1.0)heptane, 2-tert-butyl-, trans-(1R,2R,6S)-2-tert-butyl-7-oxabicyclo[4.1.0]heptaneDTXSID70175032
Database identifiers
- CAS
20887-61-0- PubChem CID
- 190237
- DTXSID
DTXSID70175032- Nikkaji
- J1.078.356I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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