tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane

C22H40O2Si2 — CID 12027346

About tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane

tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane (PubChem CID 12027346) has the molecular formula C22H40O2Si2 and a molecular weight of 392.73 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane
• PubChem CID: 12027346
• Molecular Formula: C22H40O2Si2
• Molecular Weight: 392.73 g/mol
• Exact Mass: 392.26
• IUPAC Name: tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane
• SMILES: CC(C)[Si](C#CC1(C#CCO[Si](C)(C)C(C)(C)C)CO1)(C(C)C)C(C)C
• InChI: InChI=1S/C22H40O2Si2/c1-18(2)26(19(3)4,20(5)6)16-14-22(17-23-22)13-12-15-24-25(10,11)21(7,8)9/h18-20H,15,17H2,1-11H3
• InChIKey: HKGFXGVOCDRLDN-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.73
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane (CID 12027346) is tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane is CC(C)[Si](C#CC1(C#CCO[Si](C)(C)C(C)(C)C)CO1)(C(C)C)C(C)C.

What is the InChIKey of tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane?

The InChIKey is HKGFXGVOCDRLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si2/c1-18(2)26(19(3)4,20(5)6)16-14-22(17-23-22)13-12-15-24-25(10,11)21(7,8)9/h18-20H,15,17H2,1-11H3.

What are the key properties of tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane?

tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane has a molecular weight of 392.73 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane is sourced from PubChem (CID 12027346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).