3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid

C25H28O3Si — CID 168947861

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
SMILESCC(C)(C)[Si](OCC(C(=O)O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O3Si/c1-25(2,3)29(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23(24(26)27)20-13-7-4-8-14-20/h4-18,23H,19H2,1-3H3,(H,26,27)
InChIKeyWTPYKJAFZOPVFY-UHFFFAOYSA-N
MW404.58 g/mol
LogP4.43
Rot. Bonds7

About 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid

3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid (PubChem CID 168947861) has the molecular formula C25H28O3Si and a molecular weight of 404.58 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
PubChem CID168947861
Molecular FormulaC25H28O3Si
Molecular Weight404.58 g/mol
Exact Mass404.18
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
SMILESCC(C)(C)[Si](OCC(C(=O)O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O3Si/c1-25(2,3)29(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23(24(26)27)20-13-7-4-8-14-20/h4-18,23H,19H2,1-3H3,(H,26,27)
InChIKeyWTPYKJAFZOPVFY-UHFFFAOYSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-dimethoxyphosphorylethyl] 2,2-diphenylacetate
CID 135067402
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid (CID 168947861) is 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid is CC(C)(C)[Si](OCC(C(=O)O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid?
The InChIKey is WTPYKJAFZOPVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3Si/c1-25(2,3)29(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23(24(26)27)20-13-7-4-8-14-20/h4-18,23H,19H2,1-3H3,(H,26,27).
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid?
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid has a molecular weight of 404.58 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid is sourced from PubChem (CID 168947861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).