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80060-68-0 | 1,1'-Bibicyclo[2.2.2]octane, 4,4'-dibutyl-
CAS No: 80060-68-0 Catalog No: AG005DI0 MDL No:
Product Description
Catalog Number:
AG005DI0
Chemical Name:
1,1'-Bibicyclo[2.2.2]octane, 4,4'-dibutyl-
CAS Number:
80060-68-0
Molecular Formula:
C24H42
Molecular Weight:
330.5903
IUPAC Name:
1-butyl-4-(4-butyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
InChI:
InChI=1S/C24H42/c1-3-5-7-21-9-15-23(16-10-21,17-11-21)24-18-12-22(13-19-24,14-20-24)8-6-4-2/h3-20H2,1-2H3
InChI Key:
KRWZZFUOPWYOAB-UHFFFAOYSA-N
SMILES:
CCCCC12CCC(CC1)(CC2)C12CCC(CC1)(CC2)CCCC
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.329g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.6g/mol
Monoisotopic Mass:
330.329g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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