3-(diethoxymethylsilyl)propanenitrile

C8H17NO2Si — CID 154197522

IUPAC3-(diethoxymethylsilyl)propanenitrile
SMILESCCOC(OCC)[SiH2]CCC#N
InChIInChI=1S/C8H17NO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-5,7,12H2,1-2H3
InChIKeyRTFOJBNDIGNEMH-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.84
Rot. Bonds7

About 3-(diethoxymethylsilyl)propanenitrile

3-(diethoxymethylsilyl)propanenitrile (PubChem CID 154197522) has the molecular formula C8H17NO2Si and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-(diethoxymethylsilyl)propanenitrile.

Molecular Properties

Compound Name3-(diethoxymethylsilyl)propanenitrile
PubChem CID154197522
Molecular FormulaC8H17NO2Si
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-(diethoxymethylsilyl)propanenitrile
SMILESCCOC(OCC)[SiH2]CCC#N
InChIInChI=1S/C8H17NO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-5,7,12H2,1-2H3
InChIKeyRTFOJBNDIGNEMH-UHFFFAOYSA-N
XLogP0.84
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(diethoxymethylsilyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
diethoxymethyl-[8-(diethoxymethylsilyl)octyl]silane
CID 123758239
diethoxymethyl(heptadecyl)silane
CID 154220252
diethoxymethyl(tridecyl)silane
CID 154372881
diethoxymethyl(2-isocyanatoethyl)silane
CID 154128552
3-ethoxysilylpropanenitrile
CID 149437387
3-(diethoxymethylsilyl)-N-[3-(diethoxymethylsilyl)propyl]-N-methylpropan-1-amine
CID 154169391
1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 154063195
diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
CID 154121374
ethyl 3-(diethoxymethylsilyl)propanoate
CID 154146621
diethoxymethyl(2,2-dimethylpropyl)silane
CID 149151439
diethoxymethylsilylmethyl(trimethyl)silane
CID 154083380

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxymethylsilyl)propanenitrile?
The IUPAC name of 3-(diethoxymethylsilyl)propanenitrile (CID 154197522) is 3-(diethoxymethylsilyl)propanenitrile.
What is the SMILES notation for 3-(diethoxymethylsilyl)propanenitrile?
The canonical SMILES for 3-(diethoxymethylsilyl)propanenitrile is CCOC(OCC)[SiH2]CCC#N.
What is the InChIKey of 3-(diethoxymethylsilyl)propanenitrile?
The InChIKey is RTFOJBNDIGNEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2Si/c1-3-10-8(11-4-2)12-7-5-6-9/h8H,3-5,7,12H2,1-2H3.
What are the key properties of 3-(diethoxymethylsilyl)propanenitrile?
3-(diethoxymethylsilyl)propanenitrile has a molecular weight of 187.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethylsilyl)propanenitrile is sourced from PubChem (CID 154197522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).