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101859-28-3 | 2-Butenoic acid, 4-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, methyl ester, [1α(Z),2β]- (9CI)
CAS No: 101859-28-3 Catalog No: AG0005RS MDL No:
Product Description
Catalog Number:
AG0005RS
Chemical Name:
2-Butenoic acid, 4-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, methyl ester, [1α(Z),2β]- (9CI)
CAS Number:
101859-28-3
Molecular Formula:
C17H32O3Si
Molecular Weight:
312.5197
IUPAC Name:
methyl 4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-enoate
InChI:
InChI=1S/C17H32O3Si/c1-17(2,3)21(5,6)20-15-12-8-7-10-14(15)11-9-13-16(18)19-4/h9,13-15H,7-8,10-12H2,1-6H3/t14-,15+/m1/s1
InChI Key:
NHXVVNBNVUCNEH-CABCVRRESA-N
SMILES:
COC(=O)/C=C\C[C@H]1CCCC[C@@H]1O[Si](C(C)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
312.212g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.525g/mol
Monoisotopic Mass:
312.212g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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