2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-(1-methylethyl)-
Basic information
- CAS
70636-90-7- Standard SMILES
CCC12OCC(C(C)C)(CO1)CO2- InChIKey
DTKVQIRTUXWZSW-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-(1-methylethyl)-
- IUPAC
- 1-ethyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-(1-methylethyl)-70636-90-71-Ethyl-4-(1-methylethyl)-2,6,7-trioxabicyclo(2.2.2)octaneDTXSID40220907RefChem:247936DTXCID301433981-Ethyl-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- CAS
70636-90-7- PubChem CID
- 3053992
- DTXSID
DTXSID40220907
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
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Compound notes
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