Basic information
- CAS
74793-02-5- Standard SMILES
C1CCOC(C2CCCCCO2)CC1- InChIKey
MKRVGOUODSKPEN-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 2,2'-Bioxepane
- IUPAC
- 2-(oxepan-2-yl)oxepane
- English name
- 2,2'-Bioxepane
- Molecular weight
- 0
Names & synonyms
2,2'-BioxepaneDTXSID5034078174793-02-5RefChem:242176DTXCID70291862MKRVGOUODSKPEN-UHFFFAOYSA-N
Database identifiers
- CAS
74793-02-5- PubChem CID
- 567321
- DTXSID
DTXSID50340781- Nikkaji
- J129.418K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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