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Home > Other Heterocycles > 94278-43-0
94278-43-0 | 8-(1,1-DIMETHYLETHYL)-3-METHYL-1-OXASPIRO[4.5]DECAN-2-ONE
CAS No: 94278-43-0 Catalog No: AG005ZJU MDL No:
Product Description
Catalog Number:
AG005ZJU
Chemical Name:
8-(1,1-DIMETHYLETHYL)-3-METHYL-1-OXASPIRO[4.5]DECAN-2-ONE
CAS Number:
94278-43-0
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
8-tert-butyl-3-methyl-1-oxaspiro[4.5]decan-2-one
InChI:
InChI=1S/C14H24O2/c1-10-9-14(16-12(10)15)7-5-11(6-8-14)13(2,3)4/h10-11H,5-9H2,1-4H3
InChI Key:
RUDWYGPMFXMYJL-UHFFFAOYSA-N
SMILES:
O=C1OC2(CC1C)CCC(CC2)C(C)(C)C
EC Number:
304-734-5
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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