Basic information
- CAS
97720-32-6- Standard SMILES
CCCCCCC12OCC(C(C)C)(CO1)CO2- InChIKey
WPEVVHUCFOJBTK-UHFFFAOYSA-N- Molecular formula
- C14H26O3
- Average molar mass
- 242.35 g/mol
- Monoisotopic mass
- 242.18819469
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-hexyl-4-(1-methylethyl)-
- IUPAC
- 1-hexyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
1-Hexyl-4-isopropylbicycloorthocarboxylate2,6,7-Trioxabicyclo(2.2.2)octane, 1-hexyl-4-(1-methylethyl)-97720-32-61-Hexyl-4-(1-methylethyl)-2,6,7-trioxabicyclo(2.2.2)octaneDTXSID30243201RefChem:247940DTXCID901656921-Hexyl-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- CAS
97720-32-6- PubChem CID
- 175752
- DTXSID
DTXSID30243201
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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