methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate

C13H28O3Si — CID 608937

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate
SMILESCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-12(2,3)10(11(14)15-7)16-17(8,9)13(4,5)6/h10H,1-9H3
InChIKeyRAZGJDOKSOHSDL-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.60
Rot. Bonds3

About methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate

methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate (PubChem CID 608937) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate
PubChem CID608937
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate
SMILESCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-12(2,3)10(11(14)15-7)16-17(8,9)13(4,5)6/h10H,1-9H3
InChIKeyRAZGJDOKSOHSDL-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate 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 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate (CID 608937) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate is COC(=O)C(O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate?
The InChIKey is RAZGJDOKSOHSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-12(2,3)10(11(14)15-7)16-17(8,9)13(4,5)6/h10H,1-9H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutanoate has a molecular weight of 260.45 g/mol, XLogP of 3.60, 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]oxy-3,3-dimethylbutanoate is sourced from PubChem (CID 608937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).