5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid

C22H28O4Si — CID 22100308

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)CC(=O)O
InChIInChI=1S/C22H28O4Si/c1-17(20(23)15-21(24)25)16-26-27(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3,(H,24,25)
InChIKeyMTHRXWRHLXBAMB-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.24
Rot. Bonds8

About 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid

5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid (PubChem CID 22100308) has the molecular formula C22H28O4Si and a molecular weight of 384.55 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
PubChem CID22100308
Molecular FormulaC22H28O4Si
Molecular Weight384.55 g/mol
Exact Mass384.18
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)CC(=O)O
InChIInChI=1S/C22H28O4Si/c1-17(20(23)15-21(24)25)16-26-27(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3,(H,24,25)
InChIKeyMTHRXWRHLXBAMB-UHFFFAOYSA-N
XLogP3.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid (CID 22100308) is 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid is CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)CC(=O)O.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid?
The InChIKey is MTHRXWRHLXBAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4Si/c1-17(20(23)15-21(24)25)16-26-27(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3,(H,24,25).
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid?
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid has a molecular weight of 384.55 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid is sourced from PubChem (CID 22100308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).