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138743-42-7 | Cyclohexanone, 2-(acetyloxy)-4,4-diethoxy-2,6,6-trimethyl-
CAS No: 138743-42-7 Catalog No: AG0019FY MDL No:
Product Description
Catalog Number:
AG0019FY
Chemical Name:
Cyclohexanone, 2-(acetyloxy)-4,4-diethoxy-2,6,6-trimethyl-
CAS Number:
138743-42-7
Molecular Formula:
C15H26O5
Molecular Weight:
286.3639
IUPAC Name:
(5,5-diethoxy-1,3,3-trimethyl-2-oxocyclohexyl) acetate
InChI:
InChI=1S/C15H26O5/c1-7-18-15(19-8-2)9-13(4,5)12(17)14(6,10-15)20-11(3)16/h7-10H2,1-6H3
InChI Key:
RKWTWSJLMFQOBS-UHFFFAOYSA-N
SMILES:
CCOC1(OCC)CC(C)(OC(=O)C)C(=O)C(C1)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.368g/mol
Monoisotopic Mass:
286.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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