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80060-66-8 | 1,1'-Bibicyclo[2.2.2]octane, 4,4'-diethyl-
CAS No: 80060-66-8 Catalog No: AG005DI2 MDL No:
Product Description
Catalog Number:
AG005DI2
Chemical Name:
1,1'-Bibicyclo[2.2.2]octane, 4,4'-diethyl-
CAS Number:
80060-66-8
Molecular Formula:
C20H34
Molecular Weight:
274.4840
IUPAC Name:
1-ethyl-4-(4-ethyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
InChI:
InChI=1S/C20H34/c1-3-17-5-11-19(12-6-17,13-7-17)20-14-8-18(4-2,9-15-20)10-16-20/h3-16H2,1-2H3
InChI Key:
XHTFBRDQNDQDTJ-UHFFFAOYSA-N
SMILES:
CCC12CCC(CC1)(CC2)C12CCC(CC1)(CC2)CC
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.266g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.492g/mol
Monoisotopic Mass:
274.266g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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