Basic information
- CAS
66802-58-2- Standard SMILES
CC(C)CC1OC(C)CC(C)(C)O1- InChIKey
REWCDPLVKRCMPE-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- 4,4,6-Trimethyl-2-(2-methylpropyl)-1,3-dioxane
- IUPAC
- 4,4,6-trimethyl-2-(2-methylpropyl)-1,3-dioxane
Names & synonyms
66802-58-24,4,6-trimethyl-2-(2-methylpropyl)-1,3-dioxaneNSC23488DTXSID00281918NSC-23488
Database identifiers
- CAS
66802-58-2- PubChem CID
- 229658
- DTXSID
DTXSID00281918
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…