2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-
Basic information
- CAS
4177-72-4- Standard SMILES
CCC12COC(CC)(OC1)OC2- InChIKey
VYRWKGJBKMJWMF-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-
- IUPAC
- 1,4-diethyl-2,6,7-trioxabicyclo[2.2.2]octane
- English name
- 2,5-Diethyl-2,5-(epoxymethano)-1,3-dioxane
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
1,4-diethyl-2,6,7-trioxabicyclo[2.2.2]octane1,4-Diethyl-2,6,7-trioxabicyclo(2.2.2)octane3,6-Diethyl-1,5,7-trioxabicyclo(2.2.2)octane2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-diethyl-2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-DTXSID3063338RefChem:247902DTXCID50399854177-72-42,5-Diethyl-2,5-(epoxymethano)-1,3-dioxaneSCHEMBL4543694
Database identifiers
- CAS
4177-72-4- PubChem CID
- 77843
- DTXSID
DTXSID3063338- Nikkaji
- J58.283B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl- (4177-72-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,6,7-Trioxabicyclo[2.2.2]octane, 1,4-diethyl-: ACTIVE
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Related reactions
2 records
Compound notes
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