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Home > Other Heterocycles > 114214-82-3
114214-82-3 | 6,8-Dioxabicyclo[3.2.1]octane, 5,7-diethyl-1,4-dimethyl-
CAS No: 114214-82-3 Catalog No: AG000AU7 MDL No:
Product Description
Catalog Number:
AG000AU7
Chemical Name:
6,8-Dioxabicyclo[3.2.1]octane, 5,7-diethyl-1,4-dimethyl-
CAS Number:
114214-82-3
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
5,7-diethyl-1,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane
InChI:
InChI=1S/C12H22O2/c1-5-10-11(4)8-7-9(3)12(6-2,13-10)14-11/h9-10H,5-8H2,1-4H3
InChI Key:
CLAIPNXKTFLQJJ-UHFFFAOYSA-N
SMILES:
CCC1OC2(OC1(C)CCC2C)CC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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