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Home > Other Heterocycles > 88263-12-1
88263-12-1 | 2,6,7-Trioxabicyclo[2.2.2]octane, 4-ethyl-1-(2-methylpropyl)-
CAS No: 88263-12-1 Catalog No: AG004A6H MDL No:
Product Description
Catalog Number:
AG004A6H
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane, 4-ethyl-1-(2-methylpropyl)-
CAS Number:
88263-12-1
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
4-ethyl-1-(2-methylpropyl)-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C11H20O3/c1-4-10-6-12-11(13-7-10,14-8-10)5-9(2)3/h9H,4-8H2,1-3H3
InChI Key:
WSHNHKQUPUPVRX-UHFFFAOYSA-N
SMILES:
CCC12COC(OC1)(OC2)CC(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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