prop-2-ynoxysilane

C3H6OSi — CID 123927951

IUPACprop-2-ynoxysilane
SMILESC#CCO[SiH3]
InChIInChI=1S/C3H6OSi/c1-2-3-4-5/h1H,3H2,5H3
InChIKeyUTTZRUSNMWODQC-UHFFFAOYSA-N
MW86.17 g/mol
LogP-1.08
Rot. Bonds1

About prop-2-ynoxysilane

prop-2-ynoxysilane (PubChem CID 123927951) has the molecular formula C3H6OSi and a molecular weight of 86.17 g/mol. Its IUPAC name is prop-2-ynoxysilane.

Molecular Properties

Compound Nameprop-2-ynoxysilane
PubChem CID123927951
Molecular FormulaC3H6OSi
Molecular Weight86.17 g/mol
Exact Mass86.02
IUPAC Nameprop-2-ynoxysilane
SMILESC#CCO[SiH3]
InChIInChI=1S/C3H6OSi/c1-2-3-4-5/h1H,3H2,5H3
InChIKeyUTTZRUSNMWODQC-UHFFFAOYSA-N
XLogP-1.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 prop-2-ynoxysilane?
The IUPAC name of prop-2-ynoxysilane (CID 123927951) is prop-2-ynoxysilane.
What is the SMILES notation for prop-2-ynoxysilane?
The canonical SMILES for prop-2-ynoxysilane is C#CCO[SiH3].
What is the InChIKey of prop-2-ynoxysilane?
The InChIKey is UTTZRUSNMWODQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OSi/c1-2-3-4-5/h1H,3H2,5H3.
What are the key properties of prop-2-ynoxysilane?
prop-2-ynoxysilane has a molecular weight of 86.17 g/mol, XLogP of -1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynoxysilane is sourced from PubChem (CID 123927951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).