ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate

C25H36O4Si — CID 11122835

IUPACethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
SMILESCCOC(=O)[C@H](C)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O4Si/c1-7-28-24(27)20(3)23(26)19(2)18-29-30(25(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,19-20,23,26H,7,18H2,1-6H3/t19-,20+,23+/m0/s1
InChIKeyLRKMMSQTPBOLDX-MIZPHKNDSA-N
MW428.65 g/mol
LogP3.76
Rot. Bonds9

About ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate

ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate (PubChem CID 11122835) has the molecular formula C25H36O4Si and a molecular weight of 428.65 g/mol. Its IUPAC name is ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
PubChem CID11122835
Molecular FormulaC25H36O4Si
Molecular Weight428.65 g/mol
Exact Mass428.24
IUPAC Nameethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
SMILESCCOC(=O)[C@H](C)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O4Si/c1-7-28-24(27)20(3)23(26)19(2)18-29-30(25(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,19-20,23,26H,7,18H2,1-6H3/t19-,20+,23+/m0/s1
InChIKeyLRKMMSQTPBOLDX-MIZPHKNDSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one
CID 11406491
[(4R,6R,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7,8-dihydroxyoctan-4-yl] hex-5-enoate
CID 134938019
tert-butyl (5S)-6-tert-butyldiphenylsilyloxy-5-hydroxy-3-oxohexanoate
CID 11984446
4-[Tert-butyl(diphenyl)silyl]oxyoxane-2,6-dione
CID 16007291
[5-[Tert-butyl(diphenyl)silyl]oxy-3-hydroxypentyl] 2,2-dimethylpropanoate
CID 58657748
3-((tert-Butyl(diphenyl)silyl)oxy)-4-hydroxy-4-methylpentyl acetate
CID 357858
(3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one
CID 16725141
ethyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4,4,4-trifluorobutanoate;ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate
CID 160906211
(4R,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 16098125
3-[(Tert-butyldiphenylsilyl)oxy]butanoic acid
CID 21939286
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal
CID 10738822
methyl (E,5R,6S,7S)-8-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-5,7-dimethyloct-3-enoate
CID 10928542

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The IUPAC name of ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate (CID 11122835) is ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate.
What is the SMILES notation for ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The canonical SMILES for ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate is CCOC(=O)[C@H](C)[C@H](O)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The InChIKey is LRKMMSQTPBOLDX-MIZPHKNDSA-N. The full InChI is InChI=1S/C25H36O4Si/c1-7-28-24(27)20(3)23(26)19(2)18-29-30(25(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,19-20,23,26H,7,18H2,1-6H3/t19-,20+,23+/m0/s1.
What are the key properties of ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate has a molecular weight of 428.65 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate is sourced from PubChem (CID 11122835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).