Basic information
- CAS
97720-31-5- Standard SMILES
CC(C)C12COC(CC(C)(C)C)(OC1)OC2- InChIKey
MWRXNZLUMPSEHR-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(2,2-dimethylpropyl)-4-(1-methylethyl)-
- IUPAC
- 1-(2,2-dimethylpropyl)-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
1-Neopentyl-4-isopropylbicycloorthocarboxylate2,6,7-Trioxabicyclo(2.2.2)octane, 1-(2,2-dimethylpropyl)-4-(1-methylethyl)-97720-31-5DTXSID702432001-(2,2-Dimethylpropyl)-4-(1-methylethyl)-2,6,7-trioxabicyclo(2.2.2)octaneRefChem:247907DTXCID301656911-(2,2-Dimethylpropyl)-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
Database identifiers
- CAS
97720-31-5- PubChem CID
- 175751
- DTXSID
DTXSID70243200
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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