bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane

C19H44O3Si3 — CID 87186466

IUPACbis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(CCCCC1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O3Si3/c1-18(2,3)23(7,8)21-25(11,15-13-12-14-17-16-20-17)22-24(9,10)19(4,5)6/h17H,12-16H2,1-11H3
InChIKeyWGUUAYLFBQNSAL-UHFFFAOYSA-N
MW404.82 g/mol
LogP6.67
Rot. Bonds9

About bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane

bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane (PubChem CID 87186466) has the molecular formula C19H44O3Si3 and a molecular weight of 404.82 g/mol. Its IUPAC name is bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane.

Molecular Properties

Compound Namebis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane
PubChem CID87186466
Molecular FormulaC19H44O3Si3
Molecular Weight404.82 g/mol
Exact Mass404.26
IUPAC Namebis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(CCCCC1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H44O3Si3/c1-18(2,3)23(7,8)21-25(11,15-13-12-14-17-16-20-17)22-24(9,10)19(4,5)6/h17H,12-16H2,1-11H3
InChIKeyWGUUAYLFBQNSAL-UHFFFAOYSA-N
XLogP6.67
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.82
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane 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 bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane?
The IUPAC name of bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane (CID 87186466) is bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane.
What is the SMILES notation for bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane?
The canonical SMILES for bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane is CC(C)(C)[Si](C)(C)O[Si](C)(CCCCC1CO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane?
The InChIKey is WGUUAYLFBQNSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44O3Si3/c1-18(2,3)23(7,8)21-25(11,15-13-12-14-17-16-20-17)22-24(9,10)19(4,5)6/h17H,12-16H2,1-11H3.
What are the key properties of bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane?
bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane has a molecular weight of 404.82 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[tert-butyl(dimethyl)silyl]oxy]-methyl-[4-(oxiran-2-yl)butyl]silane is sourced from PubChem (CID 87186466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).