200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 89027-39-4
89027-39-4 | Pentanoic acid, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)phenyl ester
CAS No: 89027-39-4 Catalog No: AG0042R6 MDL No:
Product Description
Catalog Number:
AG0042R6
Chemical Name:
Pentanoic acid, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)phenyl ester
CAS Number:
89027-39-4
Molecular Formula:
C24H36O2
Molecular Weight:
356.5414
IUPAC Name:
[4-(4-pentyl-1-bicyclo[2.2.2]octanyl)phenyl] pentanoate
InChI:
InChI=1S/C24H36O2/c1-3-5-7-13-23-14-17-24(18-15-23,19-16-23)20-9-11-21(12-10-20)26-22(25)8-6-4-2/h9-12H,3-8,13-19H2,1-2H3
InChI Key:
ZXIVCZAGGDPCLP-UHFFFAOYSA-N
SMILES:
CCCCCC12CCC(CC1)(CC2)c1ccc(cc1)OC(=O)CCCC
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.272g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.55g/mol
Monoisotopic Mass:
356.272g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.