bis(but-3-ynoxy)silane

C8H12O2Si — CID 172743852

IUPACbis(but-3-ynoxy)silane
SMILESC#CCCO[SiH2]OCCC#C
InChIInChI=1S/C8H12O2Si/c1-3-5-7-9-11-10-8-6-4-2/h1-2H,5-8,11H2
InChIKeyJLLYLSXUXDBQEN-UHFFFAOYSA-N
MW168.27 g/mol
LogP0.06
Rot. Bonds6

About bis(but-3-ynoxy)silane

bis(but-3-ynoxy)silane (PubChem CID 172743852) has the molecular formula C8H12O2Si and a molecular weight of 168.27 g/mol. Its IUPAC name is bis(but-3-ynoxy)silane.

Molecular Properties

Compound Namebis(but-3-ynoxy)silane
PubChem CID172743852
Molecular FormulaC8H12O2Si
Molecular Weight168.27 g/mol
Exact Mass168.06
IUPAC Namebis(but-3-ynoxy)silane
SMILESC#CCCO[SiH2]OCCC#C
InChIInChI=1S/C8H12O2Si/c1-3-5-7-9-11-10-8-6-4-2/h1-2H,5-8,11H2
InChIKeyJLLYLSXUXDBQEN-UHFFFAOYSA-N
XLogP0.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 bis(but-3-ynoxy)silane?
The IUPAC name of bis(but-3-ynoxy)silane (CID 172743852) is bis(but-3-ynoxy)silane.
What is the SMILES notation for bis(but-3-ynoxy)silane?
The canonical SMILES for bis(but-3-ynoxy)silane is C#CCCO[SiH2]OCCC#C.
What is the InChIKey of bis(but-3-ynoxy)silane?
The InChIKey is JLLYLSXUXDBQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2Si/c1-3-5-7-9-11-10-8-6-4-2/h1-2H,5-8,11H2.
What are the key properties of bis(but-3-ynoxy)silane?
bis(but-3-ynoxy)silane has a molecular weight of 168.27 g/mol, XLogP of 0.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-3-ynoxy)silane is sourced from PubChem (CID 172743852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).