4,4,6-Trimethyl-3,7,9-trioxabicyclo[4.2.1]nonane
Basic information
- CAS
62759-57-3- Standard SMILES
CC1(C)CC2(C)OCC(CO1)O2- InChIKey
XJPHDLMOXMVBTB-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 4,4,6-Trimethyl-3,7,9-trioxabicyclo[4.2.1]nonane
- IUPAC
- 4,4,6-trimethyl-3,7,9-trioxabicyclo[4.2.1]nonane
Names & synonyms
4,4,6-Trimethyl-3,7,9-trioxabicyclo[4.2.1]nonane62759-57-3DTXSID70337072XJPHDLMOXMVBTB-UHFFFAOYSA-N
Database identifiers
- CAS
62759-57-3- PubChem CID
- 538348
- DTXSID
DTXSID70337072
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…