200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 76921-55-6
76921-55-6 | Bicyclo[2.2.2]octan-1-ol,4-pentyl-
CAS No: 76921-55-6 Catalog No: AG0057Q9 MDL No:
Product Description
Catalog Number:
AG0057Q9
Chemical Name:
Bicyclo[2.2.2]octan-1-ol,4-pentyl-
CAS Number:
76921-55-6
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
4-pentylbicyclo[2.2.2]octan-1-ol
InChI:
InChI=1S/C13H24O/c1-2-3-4-5-12-6-9-13(14,10-7-12)11-8-12/h14H,2-11H2,1H3
InChI Key:
GXILFILMRJBMSD-UHFFFAOYSA-N
SMILES:
CCCCCC12CCC(CC1)(CC2)O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
© 2019 Angene International Limited. All rights Reserved.