4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile

C11H19NOSi2 — CID 175548328

IUPAC4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile
SMILESC[Si]1(C)CCC(CC#CC#N)O[Si]1(C)C
InChIInChI=1S/C11H19NOSi2/c1-14(2)10-8-11(7-5-6-9-12)13-15(14,3)4/h11H,7-8,10H2,1-4H3
InChIKeyIPRXHIBEKHIFHD-UHFFFAOYSA-N
MW237.45 g/mol
LogP2.68
Rot. Bonds1

About 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile

4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile (PubChem CID 175548328) has the molecular formula C11H19NOSi2 and a molecular weight of 237.45 g/mol. Its IUPAC name is 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile.

Molecular Properties

Compound Name4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile
PubChem CID175548328
Molecular FormulaC11H19NOSi2
Molecular Weight237.45 g/mol
Exact Mass237.10
IUPAC Name4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile
SMILESC[Si]1(C)CCC(CC#CC#N)O[Si]1(C)C
InChIInChI=1S/C11H19NOSi2/c1-14(2)10-8-11(7-5-6-9-12)13-15(14,3)4/h11H,7-8,10H2,1-4H3
InChIKeyIPRXHIBEKHIFHD-UHFFFAOYSA-N
XLogP2.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.45
LogP ≤ 52.68
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 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile 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 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile?
The IUPAC name of 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile (CID 175548328) is 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile.
What is the SMILES notation for 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile?
The canonical SMILES for 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile is C[Si]1(C)CCC(CC#CC#N)O[Si]1(C)C.
What is the InChIKey of 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile?
The InChIKey is IPRXHIBEKHIFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOSi2/c1-14(2)10-8-11(7-5-6-9-12)13-15(14,3)4/h11H,7-8,10H2,1-4H3.
What are the key properties of 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile?
4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile has a molecular weight of 237.45 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetramethyloxadisilinan-6-yl)but-2-ynenitrile is sourced from PubChem (CID 175548328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).