tris(but-2-ynoxy)silane

C12H16O3Si — CID 123866468

IUPACtris(but-2-ynoxy)silane
SMILESCC#CCO[SiH](OCC#CC)OCC#CC
InChIInChI=1S/C12H16O3Si/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h16H,10-12H2,1-3H3
InChIKeyJLDIKAMQIISHGM-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.82
Rot. Bonds6

About tris(but-2-ynoxy)silane

tris(but-2-ynoxy)silane (PubChem CID 123866468) has the molecular formula C12H16O3Si and a molecular weight of 236.34 g/mol. Its IUPAC name is tris(but-2-ynoxy)silane.

Molecular Properties

Compound Nametris(but-2-ynoxy)silane
PubChem CID123866468
Molecular FormulaC12H16O3Si
Molecular Weight236.34 g/mol
Exact Mass236.09
IUPAC Nametris(but-2-ynoxy)silane
SMILESCC#CCO[SiH](OCC#CC)OCC#CC
InChIInChI=1S/C12H16O3Si/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h16H,10-12H2,1-3H3
InChIKeyJLDIKAMQIISHGM-UHFFFAOYSA-N
XLogP0.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(but-2-ynoxy)silane?
The IUPAC name of tris(but-2-ynoxy)silane (CID 123866468) is tris(but-2-ynoxy)silane.
What is the SMILES notation for tris(but-2-ynoxy)silane?
The canonical SMILES for tris(but-2-ynoxy)silane is CC#CCO[SiH](OCC#CC)OCC#CC.
What is the InChIKey of tris(but-2-ynoxy)silane?
The InChIKey is JLDIKAMQIISHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3Si/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h16H,10-12H2,1-3H3.
What are the key properties of tris(but-2-ynoxy)silane?
tris(but-2-ynoxy)silane has a molecular weight of 236.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(but-2-ynoxy)silane is sourced from PubChem (CID 123866468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).