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Home > Other Heterocycles > 79026-54-3
79026-54-3 | 2,3-Dioxabicyclo[2.2.2]oct-5-ene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-
CAS No: 79026-54-3 Catalog No: AG005CDB MDL No:
Product Description
Catalog Number:
AG005CDB
Chemical Name:
2,3-Dioxabicyclo[2.2.2]oct-5-ene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-
CAS Number:
79026-54-3
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
InChI:
InChI=1S/C15H24O2/c1-12(2)6-5-7-13(3)15-10-8-14(4,9-11-15)16-17-15/h6,8,10,13H,5,7,9,11H2,1-4H3
InChI Key:
LQQPBZXRTDBTDG-UHFFFAOYSA-N
SMILES:
CC(=CCCC(C12CCC(OO1)(C=C2)C)C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Cleavage mechanism and anti-tumor activity of 3,6-epidioxy-1,10-bisaboladiene isolated from edible wild plants. | Bioorganic & medicinal chemistry 20120615 |
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