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Home > Other Heterocycles > 80060-71-5
80060-71-5 | 1,1'-Bibicyclo[2.2.2]octane, 4,4'-diheptyl-
CAS No: 80060-71-5 Catalog No: AG00559Z MDL No:
Product Description
Catalog Number:
AG00559Z
Chemical Name:
1,1'-Bibicyclo[2.2.2]octane, 4,4'-diheptyl-
CAS Number:
80060-71-5
Molecular Formula:
C30H54
Molecular Weight:
414.7498
IUPAC Name:
1-heptyl-4-(4-heptyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
InChI:
InChI=1S/C30H54/c1-3-5-7-9-11-13-27-15-21-29(22-16-27,23-17-27)30-24-18-28(19-25-30,20-26-30)14-12-10-8-6-4-2/h3-26H2,1-2H3
InChI Key:
HFJDGNICFQTAEU-UHFFFAOYSA-N
SMILES:
CCCCCCCC12CCC(CC1)(CC2)C12CCC(CC1)(CC2)CCCCCCC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.423g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.762g/mol
Monoisotopic Mass:
414.423g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.9
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