Basic information
- CAS
4266-80-2- Standard SMILES
CCCC12COC(CC)(OC1)OC2- InChIKey
VGFUVDWXQCGGJI-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-propyl-
- IUPAC
- 1-ethyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
2,6,7-Trioxabicyclo(2.2.2)octane, 1-ethyl-4-propyl-1-Ethyl-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane4266-80-2DTXSID001953841-Ethyl-4-propyl-2,6,7-trioxabicyclo[2.2.2]octaneRefChem:247939DTXCID10117875
Database identifiers
- CAS
4266-80-2- PubChem CID
- 199489
- DTXSID
DTXSID00195384
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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