methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate

C9H20O3Si — CID 11171734

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxyacetate
SMILESCOC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O3Si/c1-9(2,3)13(5,6)12-7-8(10)11-4/h7H2,1-6H3
InChIKeyKTNTVTQVEAPQNT-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.18
Rot. Bonds3

About methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate

methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate (PubChem CID 11171734) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxyacetate
PubChem CID11171734
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxyacetate
SMILESCOC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O3Si/c1-9(2,3)13(5,6)12-7-8(10)11-4/h7H2,1-6H3
InChIKeyKTNTVTQVEAPQNT-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate (CID 11171734) is methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate is COC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate?
The InChIKey is KTNTVTQVEAPQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-9(2,3)13(5,6)12-7-8(10)11-4/h7H2,1-6H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate?
methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate has a molecular weight of 204.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxyacetate is sourced from PubChem (CID 11171734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).