but-3-ynoxysilane

C4H8OSi — CID 123164852

IUPACbut-3-ynoxysilane
SMILESC#CCCO[SiH3]
InChIInChI=1S/C4H8OSi/c1-2-3-4-5-6/h1H,3-4H2,6H3
InChIKeyHBTAAKHVKDLBQT-UHFFFAOYSA-N
MW100.19 g/mol
LogP-0.69
Rot. Bonds2

About but-3-ynoxysilane

but-3-ynoxysilane (PubChem CID 123164852) has the molecular formula C4H8OSi and a molecular weight of 100.19 g/mol. Its IUPAC name is but-3-ynoxysilane.

Molecular Properties

Compound Namebut-3-ynoxysilane
PubChem CID123164852
Molecular FormulaC4H8OSi
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Namebut-3-ynoxysilane
SMILESC#CCCO[SiH3]
InChIInChI=1S/C4H8OSi/c1-2-3-4-5-6/h1H,3-4H2,6H3
InChIKeyHBTAAKHVKDLBQT-UHFFFAOYSA-N
XLogP-0.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 but-3-ynoxysilane?
The IUPAC name of but-3-ynoxysilane (CID 123164852) is but-3-ynoxysilane.
What is the SMILES notation for but-3-ynoxysilane?
The canonical SMILES for but-3-ynoxysilane is C#CCCO[SiH3].
What is the InChIKey of but-3-ynoxysilane?
The InChIKey is HBTAAKHVKDLBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OSi/c1-2-3-4-5-6/h1H,3-4H2,6H3.
What are the key properties of but-3-ynoxysilane?
but-3-ynoxysilane has a molecular weight of 100.19 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynoxysilane is sourced from PubChem (CID 123164852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).