1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one

C20H44O4Si2 — CID 176777346

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one
SMILESCC(C)OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-16(2)22-14-20(24-25(9,10)11,17(21)18(3,4)5)15-23-26(12,13)19(6,7)8/h16H,14-15H2,1-13H3
InChIKeyPTIIFRHWWLRITE-UHFFFAOYSA-N
MW404.74 g/mol
LogP5.64
Rot. Bonds9

About 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one

1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one (PubChem CID 176777346) has the molecular formula C20H44O4Si2 and a molecular weight of 404.74 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one
PubChem CID176777346
Molecular FormulaC20H44O4Si2
Molecular Weight404.74 g/mol
Exact Mass404.28
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one
SMILESCC(C)OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C20H44O4Si2/c1-16(2)22-14-20(24-25(9,10)11,17(21)18(3,4)5)15-23-26(12,13)19(6,7)8/h16H,14-15H2,1-13H3
InChIKeyPTIIFRHWWLRITE-UHFFFAOYSA-N
XLogP5.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.74
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-trimethylsilyloxypentan-3-one
CID 14561919
2-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3-oxo-2-trimethylsilyloxypentoxy]acetic acid
CID 10645824
4-(2,2-Dimethylpropoxymethyl)-2,2-dimethyl-4-trimethylsilyloxyhexan-3-one
CID 165060017

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one (CID 176777346) is 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one is CC(C)OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one?
The InChIKey is PTIIFRHWWLRITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O4Si2/c1-16(2)22-14-20(24-25(9,10)11,17(21)18(3,4)5)15-23-26(12,13)19(6,7)8/h16H,14-15H2,1-13H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one?
1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one has a molecular weight of 404.74 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-(propan-2-yloxymethyl)-2-trimethylsilyloxypentan-3-one is sourced from PubChem (CID 176777346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).