3-(1,2-dichloroethoxysilyl)propanenitrile

C5H9Cl2NOSi — CID 175461131

IUPAC3-(1,2-dichloroethoxysilyl)propanenitrile
SMILESN#CCC[SiH2]OC(Cl)CCl
InChIInChI=1S/C5H9Cl2NOSi/c6-4-5(7)9-10-3-1-2-8/h5H,1,3-4,10H2
InChIKeyZKJIZWMJHOYBAE-UHFFFAOYSA-N
MW198.12 g/mol
LogP1.22
Rot. Bonds5

About 3-(1,2-dichloroethoxysilyl)propanenitrile

3-(1,2-dichloroethoxysilyl)propanenitrile (PubChem CID 175461131) has the molecular formula C5H9Cl2NOSi and a molecular weight of 198.12 g/mol. Its IUPAC name is 3-(1,2-dichloroethoxysilyl)propanenitrile.

Molecular Properties

Compound Name3-(1,2-dichloroethoxysilyl)propanenitrile
PubChem CID175461131
Molecular FormulaC5H9Cl2NOSi
Molecular Weight198.12 g/mol
Exact Mass196.98
IUPAC Name3-(1,2-dichloroethoxysilyl)propanenitrile
SMILESN#CCC[SiH2]OC(Cl)CCl
InChIInChI=1S/C5H9Cl2NOSi/c6-4-5(7)9-10-3-1-2-8/h5H,1,3-4,10H2
InChIKeyZKJIZWMJHOYBAE-UHFFFAOYSA-N
XLogP1.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(dichloromethoxysilyl)propanenitrile
CID 154498962
3-ethoxysilylpropanenitrile
CID 149437387
3-prop-1-en-2-yloxysilylpropanenitrile
CID 123926954
2-chloroethyl(dichloromethoxy)silane
CID 123769523
3-(diethoxymethylsilyl)propanenitrile
CID 154197522
4-chlorobutanenitrile;diethoxysilane
CID 160880122
4-chloro-4-iodobutanenitrile
CID 19927212
henicosanedinitrile
CID 87345062
6-chlorohexanenitrile;2-chloropropanenitrile
CID 88626096
5,5-dichloro-4-silyloxypentanenitrile
CID 173033689
2-chloroacetonitrile
CID 11297929
3-chloro-3-[di(propan-2-yl)amino]oxypropanenitrile
CID 173300259

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dichloroethoxysilyl)propanenitrile?
The IUPAC name of 3-(1,2-dichloroethoxysilyl)propanenitrile (CID 175461131) is 3-(1,2-dichloroethoxysilyl)propanenitrile.
What is the SMILES notation for 3-(1,2-dichloroethoxysilyl)propanenitrile?
The canonical SMILES for 3-(1,2-dichloroethoxysilyl)propanenitrile is N#CCC[SiH2]OC(Cl)CCl.
What is the InChIKey of 3-(1,2-dichloroethoxysilyl)propanenitrile?
The InChIKey is ZKJIZWMJHOYBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2NOSi/c6-4-5(7)9-10-3-1-2-8/h5H,1,3-4,10H2.
What are the key properties of 3-(1,2-dichloroethoxysilyl)propanenitrile?
3-(1,2-dichloroethoxysilyl)propanenitrile has a molecular weight of 198.12 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dichloroethoxysilyl)propanenitrile is sourced from PubChem (CID 175461131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).