Basic information
- CAS
60028-18-4- Standard SMILES
CC(C)C12OCC(C)(CO1)CO2- InChIKey
URTKLIFWVCNGEI-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 4-methyl-1-(1-methylethyl)-
- IUPAC
- 4-methyl-1-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
2,6,7-Trioxabicyclo(2.2.2)octane, 4-methyl-1-(1-methylethyl)-60028-18-44-Methyl-1-(1-methylethyl)-2,6,7-trioxabicyclo(2.2.2)octaneDTXSID80208749RefChem:247970DTXCID80131240SCHEMBL125139964-Methyl-1-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- CAS
60028-18-4- PubChem CID
- 198397
- DTXSID
DTXSID80208749
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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