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Home > Other Heterocycles > 221300-33-0
221300-33-0 | 4-(3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)cyclohexanone
CAS No: 221300-33-0 Catalog No: AG003K0R MDL No:
Product Description
Catalog Number:
AG003K0R
Chemical Name:
4-(3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)cyclohexanone
CAS Number:
221300-33-0
Molecular Formula:
C17H28O3
Molecular Weight:
280.4024
IUPAC Name:
4-(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)cyclohexan-1-one
InChI:
InChI=1S/C17H28O3/c1-16(2)11-19-17(20-12-16)9-7-14(8-10-17)13-3-5-15(18)6-4-13/h13-14H,3-12H2,1-2H3
InChI Key:
CJNIJJHRKXFEIK-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)C1CCC2(CC1)OCC(CO2)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.408g/mol
Monoisotopic Mass:
280.204g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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