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101859-37-4 | 2-Pentenoic acid, 5-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, methyl ester, [1α(Z),2β]- (9CI)
CAS No: 101859-37-4 Catalog No: AG0005RR MDL No:
Product Description
Catalog Number:
AG0005RR
Chemical Name:
2-Pentenoic acid, 5-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, methyl ester, [1α(Z),2β]- (9CI)
CAS Number:
101859-37-4
Molecular Formula:
C18H34O3Si
Molecular Weight:
326.5463
IUPAC Name:
methyl 5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-enoate
InChI:
InChI=1S/C18H34O3Si/c1-18(2,3)22(5,6)21-16-13-9-7-11-15(16)12-8-10-14-17(19)20-4/h10,14-16H,7-9,11-13H2,1-6H3/t15-,16+/m1/s1
InChI Key:
JBWWINHRYASNGL-CVEARBPZSA-N
SMILES:
COC(=O)/C=C\CC[C@H]1CCCC[C@@H]1O[Si](C(C)(C)C)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
326.228g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.552g/mol
Monoisotopic Mass:
326.228g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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