Basic information
- CAS
60028-20-8- Standard SMILES
CCCC12COC(C(C)C)(OC1)OC2- InChIKey
GXEZSFASDBKOFD-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1-methylethyl)-4-propyl-
- IUPAC
- 1-propan-2-yl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1-methylethyl)-4-propyl-1-(1-Methylethyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane60028-20-8DTXSID50208751RefChem:247906DTXCID001312421-(Propan-2-yl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- CAS
60028-20-8- PubChem CID
- 198399
- DTXSID
DTXSID50208751
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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