(1S,1'S,6R,6'R)-7,7'-Dioxa-1,1'-bi(bicyclo[4.1.0]heptane)
Basic information
- CAS
52650-89-2- Standard SMILES
C1CC[C@]2([C@]34CCCC[C@H]3O4)O[C@@H]2C1- InChIKey
QTOIROXCDXKUCP-WYUUTHIRSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- (1S,1'S,6R,6'R)-7,7'-Dioxa-1,1'-bi(bicyclo[4.1.0]heptane)
- IUPAC
- (1S,6R)-1-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]-7-oxabicyclo[4.1.0]heptane
Names & synonyms
52650-89-2NSC368299DTXSID90321039(1S,1'S,6R,6'R)-7,7'-Dioxa-1,1'-bi(bicyclo[4.1.0]heptane)NSC-368299
Database identifiers
- CAS
52650-89-2- PubChem CID
- 339926
- DTXSID
DTXSID90321039
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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