4-Tert-butyl-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane - CAS 70637-05-7
Catalog: |
BB076826 |
Product Name: |
4-Tert-butyl-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane |
CAS: |
70637-05-7 |
Synonyms: |
4-t-Butyl-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane; 4-(tert-Butyl)-1-phenyl-2,6,7-trioxabicyclo[2.2.2]octane; 4-TERT-BUTYL-1-PHENYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE; 2,6,7-Trioxabicyclo(2.2.2)octane, 4-t-butyl-1-phenyl- |
IUPAC Name: | 4-tert-butyl-1-phenyl-2,6,7-trioxabicyclo[2.2.2]octane |
Molecular Weight: | 248.32 |
Molecular Formula: | C15H20O3 |
Canonical SMILES: | CC(C)(C)C12COC(OC1)(OC2)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H20O3/c1-13(2,3)14-9-16-15(17-10-14,18-11-14)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3 |
InChI Key: | YXVNWLKUIGTVIH-UHFFFAOYSA-N |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.1412445 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.1412445 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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