methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate

C35H40O4Si — CID 11649711

IUPACmethyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate
SMILESCOC(=O)C[C@H](c1ccccc1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C35H40O4Si/c1-35(2,3)40(30-21-13-7-14-22-30,31-23-15-8-16-24-31)39-27-33(38-26-28-17-9-5-10-18-28)32(25-34(36)37-4)29-19-11-6-12-20-29/h5-24,32-33H,25-27H2,1-4H3/t32-,33-/m1/s1
InChIKeyUMFQXKNJYXKLIV-CZNDPXEESA-N
MW552.79 g/mol
LogP6.50
Rot. Bonds12

About methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate

methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate (PubChem CID 11649711) has the molecular formula C35H40O4Si and a molecular weight of 552.79 g/mol. Its IUPAC name is methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate.

Molecular Properties

Compound Namemethyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate
PubChem CID11649711
Molecular FormulaC35H40O4Si
Molecular Weight552.79 g/mol
Exact Mass552.27
IUPAC Namemethyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate
SMILESCOC(=O)C[C@H](c1ccccc1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C35H40O4Si/c1-35(2,3)40(30-21-13-7-14-22-30,31-23-15-8-16-24-31)39-27-33(38-26-28-17-9-5-10-18-28)32(25-34(36)37-4)29-19-11-6-12-20-29/h5-24,32-33H,25-27H2,1-4H3/t32-,33-/m1/s1
InChIKeyUMFQXKNJYXKLIV-CZNDPXEESA-N
XLogP6.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.79
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-(phenylmethoxymethoxy)pentanoate
CID 11081908
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-1-en-3-yl] (3R,4S)-4-methyl-3-phenylmethoxyhex-5-enoate
CID 24905945
methyl (2S,3S,4S)-2-benzyl-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-(phenylmethoxymethoxy)pentanoate
CID 11082622
methyl (3S,4S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-iodohexanoate
CID 10816311
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2R,5R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-6-methyl-2-phenylmethoxyheptan-3-one
CID 102309188
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 169099958

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate?
The IUPAC name of methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate (CID 11649711) is methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate.
What is the SMILES notation for methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate?
The canonical SMILES for methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate is COC(=O)C[C@H](c1ccccc1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate?
The InChIKey is UMFQXKNJYXKLIV-CZNDPXEESA-N. The full InChI is InChI=1S/C35H40O4Si/c1-35(2,3)40(30-21-13-7-14-22-30,31-23-15-8-16-24-31)39-27-33(38-26-28-17-9-5-10-18-28)32(25-34(36)37-4)29-19-11-6-12-20-29/h5-24,32-33H,25-27H2,1-4H3/t32-,33-/m1/s1.
What are the key properties of methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate?
methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate has a molecular weight of 552.79 g/mol, XLogP of 6.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate is sourced from PubChem (CID 11649711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).