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80060-69-1 | 1,1'-Bibicyclo[2.2.2]octane, 4,4'-dipentyl-
CAS No: 80060-69-1 Catalog No: AG005PD2 MDL No:
Product Description
Catalog Number:
AG005PD2
Chemical Name:
1,1'-Bibicyclo[2.2.2]octane, 4,4'-dipentyl-
CAS Number:
80060-69-1
Molecular Formula:
C26H46
Molecular Weight:
358.6434
IUPAC Name:
1-pentyl-4-(4-pentyl-1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
InChI:
InChI=1S/C26H46/c1-3-5-7-9-23-11-17-25(18-12-23,19-13-23)26-20-14-24(15-21-26,16-22-26)10-8-6-4-2/h3-22H2,1-2H3
InChI Key:
YUFXLNCBLOFITP-UHFFFAOYSA-N
SMILES:
CCCCCC12CCC(CC1)(CC2)C12CCC(CC1)(CC2)CCCCC
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.36g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.654g/mol
Monoisotopic Mass:
358.36g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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