Basic information
- Standard SMILES
C#CC(C)CCCC12OCC(C(C)(C)C)(CO1)CO2- InChIKey
LVXNIBJZZQJWMS-UHFFFAOYSA-N- Molecular formula
- C16H26O3
- Average molar mass
- 266.38 g/mol
Names & identifiers
- Preferred name
- 4-t-Butyl-1-(4-methylhex-5-ynyl)-2,6,7-trioxabicyclo[2.2.2]octane
- IUPAC
- 4-tert-butyl-1-(4-methylhex-5-ynyl)-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
SCHEMBL9261140LVXNIBJZZQJWMS-UHFFFAOYSA-N4-t-Butyl-1-(4-methylhex-5-ynyl)-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- PubChem CID
- 19373385
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Related reactions
2 records
Compound notes
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