4-[tert-butyl(diphenyl)silyl]oxybutanoic acid

C20H26O3Si — CID 5461160

IUPAC4-[tert-butyl(diphenyl)silyl]oxybutanoic acid
SMILESCC(C)(C)[Si](OCCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(17-11-6-4-7-12-17,18-13-8-5-9-14-18)23-16-10-15-19(21)22/h4-9,11-14H,10,15-16H2,1-3H3,(H,21,22)
InChIKeyILQZWTPGNNRAEJ-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.43
Rot. Bonds7

About 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid

4-[tert-butyl(diphenyl)silyl]oxybutanoic acid (PubChem CID 5461160) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxybutanoic acid
PubChem CID5461160
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxybutanoic acid
SMILESCC(C)(C)[Si](OCCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(17-11-6-4-7-12-17,18-13-8-5-9-14-18)23-16-10-15-19(21)22/h4-9,11-14H,10,15-16H2,1-3H3,(H,21,22)
InChIKeyILQZWTPGNNRAEJ-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid (CID 5461160) is 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid is CC(C)(C)[Si](OCCCC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
The InChIKey is ILQZWTPGNNRAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-20(2,3)24(17-11-6-4-7-12-17,18-13-8-5-9-14-18)23-16-10-15-19(21)22/h4-9,11-14H,10,15-16H2,1-3H3,(H,21,22).
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid?
4-[tert-butyl(diphenyl)silyl]oxybutanoic acid has a molecular weight of 342.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxybutanoic acid is sourced from PubChem (CID 5461160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).