tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane

C16H34O2Si2 — CID 10757684

IUPACtert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-15(2,3)19(7,8)17-13-11-12-14-18-20(9,10)16(4,5)6/h13-14H2,1-10H3
InChIKeyJWRGYKAWNPAZDS-UHFFFAOYSA-N
MW314.62 g/mol
LogP5.03
Rot. Bonds4

About tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane

tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane (PubChem CID 10757684) has the molecular formula C16H34O2Si2 and a molecular weight of 314.62 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane
PubChem CID10757684
Molecular FormulaC16H34O2Si2
Molecular Weight314.62 g/mol
Exact Mass314.21
IUPAC Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si2/c1-15(2,3)19(7,8)17-13-11-12-14-18-20(9,10)16(4,5)6/h13-14H2,1-10H3
InChIKeyJWRGYKAWNPAZDS-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.62
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane 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-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane (CID 10757684) is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane?
The InChIKey is JWRGYKAWNPAZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si2/c1-15(2,3)19(7,8)17-13-11-12-14-18-20(9,10)16(4,5)6/h13-14H2,1-10H3.
What are the key properties of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane?
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane has a molecular weight of 314.62 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 10757684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).