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139356-33-5

139356-33-5 | Cyclohexanecarboxylic acid, 3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-, methyl ester, (3S,5S)-

CAS No: 139356-33-5 Catalog No: AG001AUO MDL No:

Product Description

Catalog Number:
AG001AUO
Chemical Name:
Cyclohexanecarboxylic acid, 3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-, methyl ester, (3S,5S)-
CAS Number:
139356-33-5
Molecular Formula:
C20H42O5Si2
Molecular Weight:
418.7155
IUPAC Name:
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxycyclohexane-1-carboxylate
InChI:
InChI=1S/C20H42O5Si2/c1-18(2,3)26(8,9)24-15-12-16(25-27(10,11)19(4,5)6)14-20(22,13-15)17(21)23-7/h15-16,22H,12-14H2,1-11H3/t15-,16-/m0/s1
InChI Key:
WNYWWPLFOPIFQS-HOTGVXAUSA-N
SMILES:
COC(=O)C1(O)C[C@H](C[C@@H](C1)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C

Properties

Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
418.257g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
418.721g/mol
Monoisotopic Mass:
418.257g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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