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

C16H36O3Si2 — CID 553024

IUPAC[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
SMILESCC(CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-13(12-18-20(8,9)15(2,3)4)14(17)19-21(10,11)16(5,6)7/h13H,12H2,1-11H3
InChIKeyPXRZTHUUFVBETM-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.19
Rot. Bonds5

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

[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate (PubChem CID 553024) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
PubChem CID553024
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
SMILESCC(CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-13(12-18-20(8,9)15(2,3)4)14(17)19-21(10,11)16(5,6)7/h13H,12H2,1-11H3
InChIKeyPXRZTHUUFVBETM-UHFFFAOYSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 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 [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate (CID 553024) is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate is CC(CO[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
The InChIKey is PXRZTHUUFVBETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-13(12-18-20(8,9)15(2,3)4)14(17)19-21(10,11)16(5,6)7/h13H,12H2,1-11H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate has a molecular weight of 332.63 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate is sourced from PubChem (CID 553024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).