4-(chloro-ethoxy-ethylsilyl)butanenitrile

C8H16ClNOSi — CID 140625068

IUPAC4-(chloro-ethoxy-ethylsilyl)butanenitrile
SMILESCCO[Si](Cl)(CC)CCCC#N
InChIInChI=1S/C8H16ClNOSi/c1-3-11-12(9,4-2)8-6-5-7-10/h3-6,8H2,1-2H3
InChIKeyCDZPXDZBVVQQMA-UHFFFAOYSA-N
MW205.76 g/mol
LogP3.03
Rot. Bonds6

About 4-(chloro-ethoxy-ethylsilyl)butanenitrile

4-(chloro-ethoxy-ethylsilyl)butanenitrile (PubChem CID 140625068) has the molecular formula C8H16ClNOSi and a molecular weight of 205.76 g/mol. Its IUPAC name is 4-(chloro-ethoxy-ethylsilyl)butanenitrile.

Molecular Properties

Compound Name4-(chloro-ethoxy-ethylsilyl)butanenitrile
PubChem CID140625068
Molecular FormulaC8H16ClNOSi
Molecular Weight205.76 g/mol
Exact Mass205.07
IUPAC Name4-(chloro-ethoxy-ethylsilyl)butanenitrile
SMILESCCO[Si](Cl)(CC)CCCC#N
InChIInChI=1S/C8H16ClNOSi/c1-3-11-12(9,4-2)8-6-5-7-10/h3-6,8H2,1-2H3
InChIKeyCDZPXDZBVVQQMA-UHFFFAOYSA-N
XLogP3.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.76
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloro-ethoxy-ethylsilyl)butanenitrile 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

12-triethoxysilyldodecanenitrile
CID 45158997
4-[dichloro(methyl)silyl]butanenitrile
CID 14479
4-[butyl(dichloro)silyl]butanenitrile
CID 11806313
butyl-chloro-ethoxy-hexylsilane
CID 140745137
5-[chloro(dimethyl)silyl]pentanenitrile
CID 87524808
3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile
CID 87442865
4-chlorobutanenitrile;diethoxysilane
CID 160880122
4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile
CID 170685707
4-trichlorosilylbutanenitrile;4-trifluorosilylbutanenitrile;hydrate
CID 161228348
chloro-ethoxy-bis(2-methylpropyl)silane
CID 88926142
2-methyl-4-trichlorosilylbutanenitrile;4-trichlorosilylbutanenitrile
CID 175427955
sodium;chloro(trimethyl)silane;octanenitrile;iodide
CID 173247567

Frequently Asked Questions

What is the IUPAC name of 4-(chloro-ethoxy-ethylsilyl)butanenitrile?
The IUPAC name of 4-(chloro-ethoxy-ethylsilyl)butanenitrile (CID 140625068) is 4-(chloro-ethoxy-ethylsilyl)butanenitrile.
What is the SMILES notation for 4-(chloro-ethoxy-ethylsilyl)butanenitrile?
The canonical SMILES for 4-(chloro-ethoxy-ethylsilyl)butanenitrile is CCO[Si](Cl)(CC)CCCC#N.
What is the InChIKey of 4-(chloro-ethoxy-ethylsilyl)butanenitrile?
The InChIKey is CDZPXDZBVVQQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNOSi/c1-3-11-12(9,4-2)8-6-5-7-10/h3-6,8H2,1-2H3.
What are the key properties of 4-(chloro-ethoxy-ethylsilyl)butanenitrile?
4-(chloro-ethoxy-ethylsilyl)butanenitrile has a molecular weight of 205.76 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloro-ethoxy-ethylsilyl)butanenitrile is sourced from PubChem (CID 140625068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).