1,2,6,7-Diepoxyheptane
Basic information
- CAS
4247-19-2- Standard SMILES
C(CC1CO1)CC1CO1- InChIKey
QWWBCQNZFMNNKJ-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 1,2,6,7-Diepoxyheptane
- IUPAC
- 2-[3-(oxiran-2-yl)propyl]oxirane
- English name
- 1,2,6,7-DIEPOXYHEPTANE
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
1,2,6,7-DIEPOXYHEPTANE4247-19-22-[3-(oxiran-2-yl)propyl]oxirane1,2:6,7-Diepoxyheptane1,3-DI(OXIRAN-2-YL)PROPANEHEPTANE, 1,2:6,7-DIEPOXY-Oxirane, 2,2'-(1,3-propanediyl)bis-8EYR8YME5MBRN 0104311UNII-8EYR8YME5MJ36.955A4-19-00-00125 (Beilstein Handbook Reference)
Show more names
2,2'-Trimethylenebisoxirane2-[3-(2-oxiranyl)propyl]oxirane2,2'-(1,3-Propanediyl)bisoxirane
SCHEMBL441939SCHEMBL1368814SCHEMBL8560669SCHEMBL23794124DTXSID50962508AKOS0062776682,2'-(TRIMETHYLENE)BISOXIRANE2,2'-(Propane-1,3-diyl)bis(oxirane)
Database identifiers
- CAS
4247-19-2- PubChem CID
- 20241
- DTXSID
DTXSID50962508- UNII
- 8EYR8YME5M
- Nikkaji
- J36.955A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
Physicochemical properties
- Boiling point
- 177.6 °C · 177.6°C (rough estimate)
- Density
- 0.9805 · 0.9805 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- FDA UNII
- 8 EYR8YME5M · 8EYR8YME5M
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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