but-3-ynyl(triethoxy)silane

C10H20O3Si — CID 87601493

IUPACbut-3-ynyl(triethoxy)silane
SMILESC#CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C10H20O3Si/c1-5-9-10-14(11-6-2,12-7-3)13-8-4/h1H,6-10H2,2-4H3
InChIKeyOPLUWKDLBIIPMS-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.06
Rot. Bonds8

About but-3-ynyl(triethoxy)silane

but-3-ynyl(triethoxy)silane (PubChem CID 87601493) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is but-3-ynyl(triethoxy)silane.

Molecular Properties

Compound Namebut-3-ynyl(triethoxy)silane
PubChem CID87601493
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Namebut-3-ynyl(triethoxy)silane
SMILESC#CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C10H20O3Si/c1-5-9-10-14(11-6-2,12-7-3)13-8-4/h1H,6-10H2,2-4H3
InChIKeyOPLUWKDLBIIPMS-UHFFFAOYSA-N
XLogP2.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.06
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 but-3-ynyl(triethoxy)silane?
The IUPAC name of but-3-ynyl(triethoxy)silane (CID 87601493) is but-3-ynyl(triethoxy)silane.
What is the SMILES notation for but-3-ynyl(triethoxy)silane?
The canonical SMILES for but-3-ynyl(triethoxy)silane is C#CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of but-3-ynyl(triethoxy)silane?
The InChIKey is OPLUWKDLBIIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-5-9-10-14(11-6-2,12-7-3)13-8-4/h1H,6-10H2,2-4H3.
What are the key properties of but-3-ynyl(triethoxy)silane?
but-3-ynyl(triethoxy)silane has a molecular weight of 216.35 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynyl(triethoxy)silane is sourced from PubChem (CID 87601493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).