3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-
Basic information
- CAS
51153-58-3- Standard SMILES
C1=C[C@H]2O[C@H]2[C@@H]2O[C@H]12- InChIKey
LWOLJZRFQMSDAZ-KVTDHHQDSA-N- Molecular formula
- C6H6O2
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 110.03677943
Names & identifiers
- Preferred name
- 3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-
- IUPAC
- (1R,2R,4R,7R)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
Names & synonyms
anti-Benzene dioxide3,8-Dioxatricyclo(5.1.0.0(sup 2,4))oct-4-ene, anti-51153-58-3DTXSID10199176RefChem:272768DTXCID40121667(1R,2R,4R,7R)-3,8-Dioxatricyclo[5.1.0.0~2,4~]oct-5-ene
Database identifiers
- CAS
51153-58-3- PubChem CID
- 3039734
- DTXSID
DTXSID10199176- Nikkaji
- J2.899.927E
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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