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Home > Other Heterocycles > 98966-69-9
98966-69-9 | Bicyclo[2.2.2]octane, 1-(4-butoxyphenyl)-4-pentyl-
CAS No: 98966-69-9 Catalog No: AG0066KX MDL No:
Product Description
Catalog Number:
AG0066KX
Chemical Name:
Bicyclo[2.2.2]octane, 1-(4-butoxyphenyl)-4-pentyl-
CAS Number:
98966-69-9
Molecular Formula:
C23H36O
Molecular Weight:
328.5313
IUPAC Name:
1-(4-butoxyphenyl)-4-pentylbicyclo[2.2.2]octane
InChI:
InChI=1S/C23H36O/c1-3-5-7-12-22-13-16-23(17-14-22,18-15-22)20-8-10-21(11-9-20)24-19-6-4-2/h8-11H,3-7,12-19H2,1-2H3
InChI Key:
YQHGUWHBMUYIIE-UHFFFAOYSA-N
SMILES:
CCCCCC12CCC(CC1)(CC2)c1ccc(cc1)OCCCC
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.277g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.54g/mol
Monoisotopic Mass:
328.277g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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