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

C20H26O3Si — CID 10665033

IUPAC(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C20H26O3Si/c1-16(19(21)22)15-23-24(20(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,15H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyLQDVNIGZCJLXHX-INIZCTEOSA-N
MW342.51 g/mol
LogP3.28
Rot. Bonds6

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

(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid (PubChem CID 10665033) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid
PubChem CID10665033
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C20H26O3Si/c1-16(19(21)22)15-23-24(20(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,15H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyLQDVNIGZCJLXHX-INIZCTEOSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic 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 (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid?
The IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid (CID 10665033) is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid?
The InChIKey is LQDVNIGZCJLXHX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-16(19(21)22)15-23-24(20(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,15H2,1-4H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid?
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid has a molecular weight of 342.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropanoic acid is sourced from PubChem (CID 10665033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).