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101853-53-6 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,3-dimethyloctyl)-5-ethyl-
CAS No: 101853-53-6 Catalog No: AG0005QA MDL No:
Product Description
Catalog Number:
AG0005QA
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,3-dimethyloctyl)-5-ethyl-
CAS Number:
101853-53-6
Molecular Formula:
C16H28N2O3
Molecular Weight:
296.4051
IUPAC Name:
5-(3,3-dimethyloctyl)-5-ethyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C16H28N2O3/c1-5-7-8-9-15(3,4)10-11-16(6-2)12(19)17-14(21)18-13(16)20/h5-11H2,1-4H3,(H2,17,18,19,20,21)
InChI Key:
RZZNIOBIRIXNIP-UHFFFAOYSA-N
SMILES:
CCCCCC(CCC1(CC)C(=O)NC(=O)NC1=O)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.21g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.411g/mol
Monoisotopic Mass:
296.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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