2-[tert-butyl(diphenyl)silyl]benzoic acid

C23H24O2Si — CID 174945369

IUPAC2-[tert-butyl(diphenyl)silyl]benzoic acid
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C23H24O2Si/c1-23(2,3)26(18-12-6-4-7-13-18,19-14-8-5-9-15-19)21-17-11-10-16-20(21)22(24)25/h4-17H,1-3H3,(H,24,25)
InChIKeyOMZOKSBPIJTTSP-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.66
Rot. Bonds4

About 2-[tert-butyl(diphenyl)silyl]benzoic acid

2-[tert-butyl(diphenyl)silyl]benzoic acid (PubChem CID 174945369) has the molecular formula C23H24O2Si and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]benzoic acid.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]benzoic acid
PubChem CID174945369
Molecular FormulaC23H24O2Si
Molecular Weight360.53 g/mol
Exact Mass360.15
IUPAC Name2-[tert-butyl(diphenyl)silyl]benzoic acid
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C23H24O2Si/c1-23(2,3)26(18-12-6-4-7-13-18,19-14-8-5-9-15-19)21-17-11-10-16-20(21)22(24)25/h4-17H,1-3H3,(H,24,25)
InChIKeyOMZOKSBPIJTTSP-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(diphenyl)silyl]benzoic 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

tert-butyl-(2-methoxyphenyl)-diphenylsilane
CID 134946104
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
tert-butyl-(4-methylphenyl)-diphenylsilane
CID 140525033
phthalic acid;silicic acid
CID 159320374
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
2-boronobenzoic acid
CID 2733985
2,2-dimethylpropane-1,3-diol;phthalic acid
CID 159239646
CID 174469049
CID 174469049
2-(2-sulfanylpropan-2-yl)benzoic acid
CID 91874166
2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid
CID 21221868

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]benzoic acid?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]benzoic acid (CID 174945369) is 2-[tert-butyl(diphenyl)silyl]benzoic acid.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]benzoic acid?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]benzoic acid is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]benzoic acid?
The InChIKey is OMZOKSBPIJTTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2Si/c1-23(2,3)26(18-12-6-4-7-13-18,19-14-8-5-9-15-19)21-17-11-10-16-20(21)22(24)25/h4-17H,1-3H3,(H,24,25).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]benzoic acid?
2-[tert-butyl(diphenyl)silyl]benzoic acid has a molecular weight of 360.53 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]benzoic acid is sourced from PubChem (CID 174945369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).