methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate

C11H24O3Si — CID 11128183

IUPACmethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(10(12)13-5)8-14-15(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyGDTYFCRFIVSEIF-VIFPVBQESA-N
MW232.40 g/mol
LogP2.82
Rot. Bonds4

About methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate

methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate (PubChem CID 11128183) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
PubChem CID11128183
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(10(12)13-5)8-14-15(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyGDTYFCRFIVSEIF-VIFPVBQESA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate 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 methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
The IUPAC name of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate (CID 11128183) is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
The canonical SMILES for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate is COC(=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
The InChIKey is GDTYFCRFIVSEIF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24O3Si/c1-9(10(12)13-5)8-14-15(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-/m0/s1.
What are the key properties of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate has a molecular weight of 232.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate is sourced from PubChem (CID 11128183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).