[(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate

C19H40O5Si — CID 14061493

IUPAC[(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(=O)C(C)(C)C)[C@@H](O)CO
InChIInChI=1S/C19H40O5Si/c1-13(12-23-17(22)18(3,4)5)16(14(2)15(21)11-20)24-25(9,10)19(6,7)8/h13-16,20-21H,11-12H2,1-10H3/t13-,14-,15-,16+/m0/s1
InChIKeyGGIDGGPPEQDHFX-YHUYYLMFSA-N
MW376.61 g/mol
LogP3.59
Rot. Bonds8

About [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate

[(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate (PubChem CID 14061493) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate
PubChem CID14061493
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Name[(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate
SMILESC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(=O)C(C)(C)C)[C@@H](O)CO
InChIInChI=1S/C19H40O5Si/c1-13(12-23-17(22)18(3,4)5)16(14(2)15(21)11-20)24-25(9,10)19(6,7)8/h13-16,20-21H,11-12H2,1-10H3/t13-,14-,15-,16+/m0/s1
InChIKeyGGIDGGPPEQDHFX-YHUYYLMFSA-N
XLogP3.59
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-methylheptyl] 2,2-dimethylpropanoate
CID 134931595
[(3S)-5-hydroxy-2-methyl-3-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 162397929
(2R,4S,5S,6S,8R)-2,8-Dimethyl-4,6-dimethoxy-5-t-butyldimethylsilyloxy-9-pivaloyloxynonanol
CID 11826692
(2R,4S,5R,6S,8R)-1-Pivaloyloxy-2,8-dimethyl-4,6-dimethoxy-5-hydroxyl-9-t-butyldimethylsilyloxynonane
CID 22855816
[(2R,3R,4R,5R)-3,4,5-triacetyloxy-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 46192139
[(2R,3R,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 59916222
[(2R,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-(hydroxymethyl)-4-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 59916227
[(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate
CID 90215261
[(2R,3R,4S,5S,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619146
[(2R,3R,4S,5R,8S,9S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8-trimethyltridecan-5-yl] propanoate
CID 155619158
[(2R,3R,4S,5R,8S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] 2-methylpropanoate
CID 155619160
[11-[Tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,9-dimethoxy-2,4,8,12-tetramethyltridecan-5-yl] 2-methylpropanoate
CID 173887720

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate (CID 14061493) is [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate is C[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(=O)C(C)(C)C)[C@@H](O)CO.
What is the InChIKey of [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate?
The InChIKey is GGIDGGPPEQDHFX-YHUYYLMFSA-N. The full InChI is InChI=1S/C19H40O5Si/c1-13(12-23-17(22)18(3,4)5)16(14(2)15(21)11-20)24-25(9,10)19(6,7)8/h13-16,20-21H,11-12H2,1-10H3/t13-,14-,15-,16+/m0/s1.
What are the key properties of [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate?
[(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate has a molecular weight of 376.61 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2,4-dimethylhexyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 14061493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).