Basic information
- CAS
277-06-5- Standard SMILES
C1CC2OC2C2OC12- InChIKey
APXNRLPBXNJAGG-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Names & identifiers
- Preferred name
- Cyclohexa-1,3-diene dioxide
- IUPAC
- 3,8-dioxatricyclo[5.1.0.02,4]octane
- English name
- DIEPOXYCYCLOHEXANE
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
1,2:3,4-DiepoxycyclohexaneCyclohexa-1,3-diene dioxide277-06-5UNII-AOF31T5W1CRefChem:200295cyclohexadiene dioxideAOF31T5W1CSCHEMBL4281560SCHEMBL4564219SCHEMBL30557123DTXSID209503713,8-Dioxatricyclo[5.1.0.0~2,4~]octane
Show more names
DIEPOXYCYCLOHEXANE3,8-DIOXATRICYCLO-OCTANECYCLOHEXA-1,3-DIENEDIOXIDE1,2,3,4-DIEPOXYCYCLOHEXANETRANS-1,2,3,4-DIEPOXYCYCLOHEXANE3,8-Dioxatricyclo[5.1.0.02,4]octane(1R)-1β,2β:3β,4β-Diepoxycyclohexane
Database identifiers
- CAS
277-06-5- PubChem CID
- 9232
- DTXSID
DTXSID20950371- Nikkaji
- J2.979C
Properties
Computed structural properties
- XLogP
- 0.2
- 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
- 118
Physicochemical properties
- Boiling point
- 147.55 °C · 147.55°C (rough estimate)
- Density
- 1.0494 · 1.0494 (rough estimate)
- refractive index
- 1.4792 · 1.4792 (estimate)
- FDA UNII
- 31 T5W1C · AOF31T5W1C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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