3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid

C23H30O5Si — CID 68833938

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(CC(=O)O)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H30O5Si/c1-23(2,3)29(4,5)28-19-13-11-18(12-14-19)20(15-21(24)25)22(26)27-16-17-9-7-6-8-10-17/h6-14,20H,15-16H2,1-5H3,(H,24,25)
InChIKeyKIFCUJFQJMLHCI-UHFFFAOYSA-N
MW414.57 g/mol
LogP5.37
Rot. Bonds8

About 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid

3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid (PubChem CID 68833938) has the molecular formula C23H30O5Si and a molecular weight of 414.57 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
PubChem CID68833938
Molecular FormulaC23H30O5Si
Molecular Weight414.57 g/mol
Exact Mass414.19
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(CC(=O)O)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H30O5Si/c1-23(2,3)29(4,5)28-19-13-11-18(12-14-19)20(15-21(24)25)22(26)27-16-17-9-7-6-8-10-17/h6-14,20H,15-16H2,1-5H3,(H,24,25)
InChIKeyKIFCUJFQJMLHCI-UHFFFAOYSA-N
XLogP5.37
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
benzyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 102575734
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate
CID 140521974
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
benzyl N-[(1R,2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-hydroxy-1-[(2S)-2-methyloxiran-2-yl]propan-2-yl]carbamate
CID 59027859
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 176759089
1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824
tert-butyl-dimethyl-(4-propylphenoxy)silane;2-hydroxybutanedioic acid
CID 174782746
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol
CID 54001098

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid (CID 68833938) is 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid is CC(C)(C)[Si](C)(C)Oc1ccc(C(CC(=O)O)C(=O)OCc2ccccc2)cc1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid?
The InChIKey is KIFCUJFQJMLHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5Si/c1-23(2,3)29(4,5)28-19-13-11-18(12-14-19)20(15-21(24)25)22(26)27-16-17-9-7-6-8-10-17/h6-14,20H,15-16H2,1-5H3,(H,24,25).
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid?
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid has a molecular weight of 414.57 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid is sourced from PubChem (CID 68833938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).