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

C23H32O5Si — CID 71747391

IUPACethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O5Si/c1-5-27-22(26)21(25)20(24)16-17-28-29(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,24-25H,5,16-17H2,1-4H3/t20-,21+/m1/s1
InChIKeyRKGBWIZWJCXKRV-RTWAWAEBSA-N
MW416.59 g/mol
LogP2.24
Rot. Bonds9

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

ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate (PubChem CID 71747391) has the molecular formula C23H32O5Si and a molecular weight of 416.59 g/mol. Its IUPAC name is ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate
PubChem CID71747391
Molecular FormulaC23H32O5Si
Molecular Weight416.59 g/mol
Exact Mass416.20
IUPAC Nameethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O5Si/c1-5-27-22(26)21(25)20(24)16-17-28-29(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,24-25H,5,16-17H2,1-4H3/t20-,21+/m1/s1
InChIKeyRKGBWIZWJCXKRV-RTWAWAEBSA-N
XLogP2.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate?
The IUPAC name of ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate (CID 71747391) is ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate.
What is the SMILES notation for ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate?
The canonical SMILES for ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate is CCOC(=O)[C@@H](O)[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate?
The InChIKey is RKGBWIZWJCXKRV-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H32O5Si/c1-5-27-22(26)21(25)20(24)16-17-28-29(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21,24-25H,5,16-17H2,1-4H3/t20-,21+/m1/s1.
What are the key properties of ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate?
ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate has a molecular weight of 416.59 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroxypentanoate is sourced from PubChem (CID 71747391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).