3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile

C15H32N2O6Si2 — CID 87442865

IUPAC3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile
SMILESCCO[Si](CCC#N)(OCC)OCC.CO[Si](CCC#N)(OC)OC
InChIInChI=1S/C9H19NO3Si.C6H13NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-8-11(9-2,10-3)6-4-5-7/h4-7,9H2,1-3H3;4,6H2,1-3H3
InChIKeyUMYSUDBQVMTKAV-UHFFFAOYSA-N
MW392.60 g/mol
LogP2.73
Rot. Bonds13

About 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile

3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile (PubChem CID 87442865) has the molecular formula C15H32N2O6Si2 and a molecular weight of 392.60 g/mol. Its IUPAC name is 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile.

Molecular Properties

Compound Name3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile
PubChem CID87442865
Molecular FormulaC15H32N2O6Si2
Molecular Weight392.60 g/mol
Exact Mass392.18
IUPAC Name3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile
SMILESCCO[Si](CCC#N)(OCC)OCC.CO[Si](CCC#N)(OC)OC
InChIInChI=1S/C9H19NO3Si.C6H13NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-8-11(9-2,10-3)6-4-5-7/h4-7,9H2,1-3H3;4,6H2,1-3H3
InChIKeyUMYSUDBQVMTKAV-UHFFFAOYSA-N
XLogP2.73
TPSA102.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.60
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

12-triethoxysilyldodecanenitrile
CID 45158997
2-triethoxysilylacetonitrile
CID 22186534
thiocyanic acid;triethoxy(propyl)silane
CID 172793282
2-triethoxysilylethyl cyanate
CID 3023809
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
dimethoxy-(4-triethoxysilylbutoxy)-(3-triethoxysilylpropyl)silane
CID 175038998
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
butyl-diethoxy-methoxysilane;molecular hydrogen
CID 161363700
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
2-[diethoxy(methoxy)silyl]-N,N-dimethylethanamine
CID 155655045
dodecyl-diethoxy-methoxysilane
CID 141483107

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile?
The IUPAC name of 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile (CID 87442865) is 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile.
What is the SMILES notation for 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile?
The canonical SMILES for 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile is CCO[Si](CCC#N)(OCC)OCC.CO[Si](CCC#N)(OC)OC.
What is the InChIKey of 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile?
The InChIKey is UMYSUDBQVMTKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3Si.C6H13NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-8-11(9-2,10-3)6-4-5-7/h4-7,9H2,1-3H3;4,6H2,1-3H3.
What are the key properties of 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile?
3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile has a molecular weight of 392.60 g/mol, XLogP of 2.73, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile is sourced from PubChem (CID 87442865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).