acetonitrile;trimethoxysilane

C5H13NO3Si — CID 158819953

IUPACacetonitrile;trimethoxysilane
SMILESCC#N.CO[SiH](OC)OC
InChIInChI=1S/C3H10O3Si.C2H3N/c1-4-7(5-2)6-3;1-2-3/h7H,1-3H3;1H3
InChIKeyIVSWJQBKLXAHQG-UHFFFAOYSA-N
MW163.25 g/mol
LogP0.17
Rot. Bonds3

About acetonitrile;trimethoxysilane

acetonitrile;trimethoxysilane (PubChem CID 158819953) has the molecular formula C5H13NO3Si and a molecular weight of 163.25 g/mol. Its IUPAC name is acetonitrile;trimethoxysilane.

Molecular Properties

Compound Nameacetonitrile;trimethoxysilane
PubChem CID158819953
Molecular FormulaC5H13NO3Si
Molecular Weight163.25 g/mol
Exact Mass163.07
IUPAC Nameacetonitrile;trimethoxysilane
SMILESCC#N.CO[SiH](OC)OC
InChIInChI=1S/C3H10O3Si.C2H3N/c1-4-7(5-2)6-3;1-2-3/h7H,1-3H3;1H3
InChIKeyIVSWJQBKLXAHQG-UHFFFAOYSA-N
XLogP0.17
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;trimethoxysilane?
The IUPAC name of acetonitrile;trimethoxysilane (CID 158819953) is acetonitrile;trimethoxysilane.
What is the SMILES notation for acetonitrile;trimethoxysilane?
The canonical SMILES for acetonitrile;trimethoxysilane is CC#N.CO[SiH](OC)OC.
What is the InChIKey of acetonitrile;trimethoxysilane?
The InChIKey is IVSWJQBKLXAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3Si.C2H3N/c1-4-7(5-2)6-3;1-2-3/h7H,1-3H3;1H3.
What are the key properties of acetonitrile;trimethoxysilane?
acetonitrile;trimethoxysilane has a molecular weight of 163.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;trimethoxysilane is sourced from PubChem (CID 158819953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).