3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile

C8H16N2O3Si — CID 158169022

IUPAC3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile
SMILESCO[Si](C)(CCCO)OC.N#CC#N
InChIInChI=1S/C6H16O3Si.C2N2/c1-8-10(3,9-2)6-4-5-7;3-1-2-4/h7H,4-6H2,1-3H3;
InChIKeyFXFIYJYDFYNZLM-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.77
Rot. Bonds5

About 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile

3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile (PubChem CID 158169022) has the molecular formula C8H16N2O3Si and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile
PubChem CID158169022
Molecular FormulaC8H16N2O3Si
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile
SMILESCO[Si](C)(CCCO)OC.N#CC#N
InChIInChI=1S/C6H16O3Si.C2N2/c1-8-10(3,9-2)6-4-5-7;3-1-2-4/h7H,4-6H2,1-3H3;
InChIKeyFXFIYJYDFYNZLM-UHFFFAOYSA-N
XLogP0.77
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[dimethoxy(methyl)silyl]propan-1-ol;nitrosilane
CID 174932169
3-[3-[dimethoxy(methyl)silyl]propylamino]propan-1-ol
CID 150629317
aniline;3-[dimethoxy(methyl)silyl]propan-1-ol
CID 174790638
3-[dimethoxy(methyl)silyl]propan-1-ol;1-methoxypropan-2-amine
CID 175296488
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
2-[3-[dimethoxy(methyl)silyl]propylamino]ethanol
CID 23089047
[3-[dimethoxy(methyl)silyl]propyl-methoxy-methylsilyl]methanol
CID 58151849
dimethoxy-methyl-(4-trimethoxysilylbutyl)silane
CID 87101984
tetrakis[4-[dimethoxy(methyl)silyl]butyl]silane
CID 87832670
3-[dimethoxy(methyl)silyl]propylphosphane
CID 141336188
3-dichlorosilylpropyl-dimethoxy-methylsilane
CID 157212804
[2-[dimethoxy(methyl)silyl]ethyl-methoxysilyl]methanol
CID 58151804

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile (CID 158169022) is 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile is CO[Si](C)(CCCO)OC.N#CC#N.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile?
The InChIKey is FXFIYJYDFYNZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3Si.C2N2/c1-8-10(3,9-2)6-4-5-7;3-1-2-4/h7H,4-6H2,1-3H3;.
What are the key properties of 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile?
3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile has a molecular weight of 216.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propan-1-ol;oxalonitrile is sourced from PubChem (CID 158169022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).