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Home > Other Heterocycles > 89027-46-3
89027-46-3 | Pentanoic acid, 4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl ester
CAS No: 89027-46-3 Catalog No: AG0042R4 MDL No:
Product Description
Catalog Number:
AG0042R4
Chemical Name:
Pentanoic acid, 4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl ester
CAS Number:
89027-46-3
Molecular Formula:
C25H38O2
Molecular Weight:
370.5680
IUPAC Name:
[4-(4-hexyl-1-bicyclo[2.2.2]octanyl)phenyl] pentanoate
InChI:
InChI=1S/C25H38O2/c1-3-5-7-8-14-24-15-18-25(19-16-24,20-17-24)21-10-12-22(13-11-21)27-23(26)9-6-4-2/h10-13H,3-9,14-20H2,1-2H3
InChI Key:
AXGHSWCEFVQJDY-UHFFFAOYSA-N
SMILES:
CCCCCCC12CCC(CC1)(CC2)c1ccc(cc1)OC(=O)CCCC
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.287g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.577g/mol
Monoisotopic Mass:
370.287g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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