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Home > Other Heterocycles > 189824-44-0
189824-44-0 | 7,14,15-Trioxadispiro[5.1.5.2]pentadecan-3-one
CAS No: 189824-44-0 Catalog No: AG002E1A MDL No:
Product Description
Catalog Number:
AG002E1A
Chemical Name:
7,14,15-Trioxadispiro[5.1.5.2]pentadecan-3-one
CAS Number:
189824-44-0
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
7,14,15-trioxadispiro[5.1.58.26]pentadecan-11-one
InChI:
InChI=1S/C12H18O4/c13-10-4-8-12(9-5-10)14-11(15-16-12)6-2-1-3-7-11/h1-9H2
InChI Key:
GEWIRNPCVKWKGK-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)OOC1(O2)CCCCC1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Spiro and dispiro-1,2,4-trioxolanes as antimalarial peroxides: charting a workable structure-activity relationship using simple prototypes. | Journal of medicinal chemistry 20050728 |
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