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87729-65-5 | 2-Butenoic acid, 4-(2-oxocyclohexyl)-4-(trimethylsilyl)-, butyl ester
CAS No: 87729-65-5 Catalog No: AG004MYP MDL No:
Product Description
Catalog Number:
AG004MYP
Chemical Name:
2-Butenoic acid, 4-(2-oxocyclohexyl)-4-(trimethylsilyl)-, butyl ester
CAS Number:
87729-65-5
Molecular Formula:
C17H30O3Si
Molecular Weight:
310.5038
IUPAC Name:
butyl 4-(2-oxocyclohexyl)-4-trimethylsilylbut-2-enoate
InChI:
InChI=1S/C17H30O3Si/c1-5-6-13-20-17(19)12-11-16(21(2,3)4)14-9-7-8-10-15(14)18/h11-12,14,16H,5-10,13H2,1-4H3
InChI Key:
BHEVSUNIJULAIF-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C=CC([Si](C)(C)C)C1CCCCC1=O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.196g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.509g/mol
Monoisotopic Mass:
310.196g/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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