methyl 2-tri(propan-2-yl)silyloxypropanoate

C13H28O3Si — CID 85119794

IUPACmethyl 2-tri(propan-2-yl)silyloxypropanoate
SMILESCOC(=O)C(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O3Si/c1-9(2)17(10(3)4,11(5)6)16-12(7)13(14)15-8/h9-12H,1-8H3
InChIKeyYQUJVTXQVGWUQO-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.74
Rot. Bonds6

About methyl 2-tri(propan-2-yl)silyloxypropanoate

methyl 2-tri(propan-2-yl)silyloxypropanoate (PubChem CID 85119794) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl 2-tri(propan-2-yl)silyloxypropanoate.

Molecular Properties

Compound Namemethyl 2-tri(propan-2-yl)silyloxypropanoate
PubChem CID85119794
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl 2-tri(propan-2-yl)silyloxypropanoate
SMILESCOC(=O)C(C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H28O3Si/c1-9(2)17(10(3)4,11(5)6)16-12(7)13(14)15-8/h9-12H,1-8H3
InChIKeyYQUJVTXQVGWUQO-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-tri(propan-2-yl)silyloxypropanoate 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-tri(propan-2-yl)silyloxypropanoate?
The IUPAC name of methyl 2-tri(propan-2-yl)silyloxypropanoate (CID 85119794) is methyl 2-tri(propan-2-yl)silyloxypropanoate.
What is the SMILES notation for methyl 2-tri(propan-2-yl)silyloxypropanoate?
The canonical SMILES for methyl 2-tri(propan-2-yl)silyloxypropanoate is COC(=O)C(C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl 2-tri(propan-2-yl)silyloxypropanoate?
The InChIKey is YQUJVTXQVGWUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-9(2)17(10(3)4,11(5)6)16-12(7)13(14)15-8/h9-12H,1-8H3.
What are the key properties of methyl 2-tri(propan-2-yl)silyloxypropanoate?
methyl 2-tri(propan-2-yl)silyloxypropanoate has a molecular weight of 260.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tri(propan-2-yl)silyloxypropanoate is sourced from PubChem (CID 85119794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).