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Home > Other Heterocycles > 123696-06-0
123696-06-0 | 6,8-Dioxabicyclo[3.2.1]octane, 5,7-dimethyl-7-(1-methylethyl)-
CAS No: 123696-06-0 Catalog No: AG000KZ0 MDL No:
Product Description
Catalog Number:
AG000KZ0
Chemical Name:
6,8-Dioxabicyclo[3.2.1]octane, 5,7-dimethyl-7-(1-methylethyl)-
CAS Number:
123696-06-0
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
InChI:
InChI=1S/C11H20O2/c1-8(2)11(4)9-6-5-7-10(3,12-9)13-11/h8-9H,5-7H2,1-4H3
InChI Key:
KOOXVJXVLHDPLT-UHFFFAOYSA-N
SMILES:
CC(C1(C)OC2(OC1CCC2)C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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