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Home > Other Heterocycles > 95049-67-5
95049-67-5 | Bicyclo[2.2.2]octane, 1,4-dipentyl-
CAS No: 95049-67-5 Catalog No: AG005TIQ MDL No:
Product Description
Catalog Number:
AG005TIQ
Chemical Name:
Bicyclo[2.2.2]octane, 1,4-dipentyl-
CAS Number:
95049-67-5
Molecular Formula:
C18H34
Molecular Weight:
250.4626
IUPAC Name:
1,4-dipentylbicyclo[2.2.2]octane
InChI:
InChI=1S/C18H34/c1-3-5-7-9-17-11-14-18(15-12-17,16-13-17)10-8-6-4-2/h3-16H2,1-2H3
InChI Key:
KMXNMSICMSEMGP-UHFFFAOYSA-N
SMILES:
CCCCCC12CCC(CC1)(CC2)CCCCC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.266g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.47g/mol
Monoisotopic Mass:
250.266g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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