[tert-butyl(dimethyl)silyl] 2-oxoacetate

C8H16O3Si — CID 91697201

IUPAC[tert-butyl(dimethyl)silyl] 2-oxoacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C=O
InChIInChI=1S/C8H16O3Si/c1-8(2,3)12(4,5)11-7(10)6-9/h6H,1-5H3
InChIKeyVHBSORLNBSCSQX-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.73
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] 2-oxoacetate

[tert-butyl(dimethyl)silyl] 2-oxoacetate (PubChem CID 91697201) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-oxoacetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-oxoacetate
PubChem CID91697201
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name[tert-butyl(dimethyl)silyl] 2-oxoacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C=O
InChIInChI=1S/C8H16O3Si/c1-8(2,3)12(4,5)11-7(10)6-9/h6H,1-5H3
InChIKeyVHBSORLNBSCSQX-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 2-oxoacetate 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 [tert-butyl(dimethyl)silyl] 2-oxoacetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-oxoacetate (CID 91697201) is [tert-butyl(dimethyl)silyl] 2-oxoacetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-oxoacetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-oxoacetate is CC(C)(C)[Si](C)(C)OC(=O)C=O.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-oxoacetate?
The InChIKey is VHBSORLNBSCSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-8(2,3)12(4,5)11-7(10)6-9/h6H,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-oxoacetate?
[tert-butyl(dimethyl)silyl] 2-oxoacetate has a molecular weight of 188.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-oxoacetate is sourced from PubChem (CID 91697201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).