Basic information
- CAS
33279-46-8- Standard SMILES
C#CC1(O)C2COC(O2)C2OC(C)(C)OC21- InChIKey
WOIJWUMELUPKJU-UHFFFAOYSA-N- Molecular formula
- C11H14O5
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08412354
Names & identifiers
- Preferred name
- 7-Ethynyl-4,4-dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
- IUPAC
- 7-ethynyl-4,4-dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
Names & synonyms
NSC144666NSC-14466633279-46-8
Database identifiers
- CAS
33279-46-8- PubChem CID
- 286471
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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