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87729-64-4 | 2-Butenoic acid, 4-(2-oxocyclopentyl)-4-(trimethylsilyl)-, butyl ester
CAS No: 87729-64-4 Catalog No: AG004IP8 MDL No:
Product Description
Catalog Number:
AG004IP8
Chemical Name:
2-Butenoic acid, 4-(2-oxocyclopentyl)-4-(trimethylsilyl)-, butyl ester
CAS Number:
87729-64-4
Molecular Formula:
C16H28O3Si
Molecular Weight:
296.4772
IUPAC Name:
butyl 4-(2-oxocyclopentyl)-4-trimethylsilylbut-2-enoate
InChI:
InChI=1S/C16H28O3Si/c1-5-6-12-19-16(18)11-10-15(20(2,3)4)13-8-7-9-14(13)17/h10-11,13,15H,5-9,12H2,1-4H3
InChI Key:
RZDUWZDAUJEGST-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C=CC([Si](C)(C)C)C1CCCC1=O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.181g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.482g/mol
Monoisotopic Mass:
296.181g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
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