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Home > Other Heterocycles > 70636-89-4
70636-89-4 | 1-ETHYL-4-BUTYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
CAS No: 70636-89-4 Catalog No: AG005H7K MDL No:
Product Description
Catalog Number:
AG005H7K
Chemical Name:
1-ETHYL-4-BUTYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
CAS Number:
70636-89-4
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
4-butyl-1-ethyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C11H20O3/c1-3-5-6-10-7-12-11(4-2,13-8-10)14-9-10/h3-9H2,1-2H3
InChI Key:
PMJVLYQOHQVPNT-UHFFFAOYSA-N
SMILES:
CCCCC12COC(OC1)(OC2)CC
Properties
Complexity:
178
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:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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