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Home > Other Heterocycles > 80060-65-7
80060-65-7 | 1,1'-Bibicyclo[2.2.2]octane, 4,4'-dimethyl-
CAS No: 80060-65-7 Catalog No: AG0055A0 MDL No:
Product Description
Catalog Number:
AG0055A0
Chemical Name:
1,1'-Bibicyclo[2.2.2]octane, 4,4'-dimethyl-
CAS Number:
80060-65-7
Molecular Formula:
C18H30
Molecular Weight:
246.4308
IUPAC Name:
1-methyl-4-(4-methyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
InChI:
InChI=1S/C18H30/c1-15-3-9-17(10-4-15,11-5-15)18-12-6-16(2,7-13-18)8-14-18/h3-14H2,1-2H3
InChI Key:
CJCVXCVWPHSXTG-UHFFFAOYSA-N
SMILES:
CC12CCC(CC1)(CC2)C12CCC(CC1)(CC2)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.235g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.438g/mol
Monoisotopic Mass:
246.235g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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