4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile

C12H15Cl2NOSi — CID 532667

IUPAC4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile
SMILESC[Si](C)(CCCC#N)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NOSi/c1-17(2,8-4-3-7-15)16-10-5-6-11(13)12(14)9-10/h5-6,9H,3-4,8H2,1-2H3
InChIKeyFENOGVQYXXZVEH-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.88
Rot. Bonds5

About 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile

4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile (PubChem CID 532667) has the molecular formula C12H15Cl2NOSi and a molecular weight of 288.25 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile.

Molecular Properties

Compound Name4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile
PubChem CID532667
Molecular FormulaC12H15Cl2NOSi
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile
SMILESC[Si](C)(CCCC#N)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NOSi/c1-17(2,8-4-3-7-15)16-10-5-6-11(13)12(14)9-10/h5-6,9H,3-4,8H2,1-2H3
InChIKeyFENOGVQYXXZVEH-UHFFFAOYSA-N
XLogP4.88
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.88
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'}

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Related Compounds

(3,4-dichlorophenyl) N-(cyanomethyl)carbamate
CID 116819787
3-[(2-chloro-4-phenylphenoxy)-dimethylsilyl]propanenitrile
CID 614394
5-(3-chloro-4-fluorophenoxy)pentanenitrile
CID 60673566
4-[dimethyl-[(2,4,5-trifluorophenyl)methoxy]silyl]butanenitrile
CID 91735452
4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile
CID 10571600
4-[dichloro(methyl)silyl]butanenitrile
CID 14479
N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047177
3-(4-chloro-3-ethylphenoxy)propanenitrile
CID 43212888
(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile
CID 86705554
(4-chloro-3-methylphenyl) N-(2-cyanoethyl)carbamate
CID 116819895
4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile
CID 170685707
4-(1-bromopropan-2-yloxy)-1,2-dichlorobenzene
CID 14773496

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile?
The IUPAC name of 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile (CID 532667) is 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile.
What is the SMILES notation for 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile?
The canonical SMILES for 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile is C[Si](C)(CCCC#N)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile?
The InChIKey is FENOGVQYXXZVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOSi/c1-17(2,8-4-3-7-15)16-10-5-6-11(13)12(14)9-10/h5-6,9H,3-4,8H2,1-2H3.
What are the key properties of 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile?
4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile has a molecular weight of 288.25 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenoxy)-dimethylsilyl]butanenitrile is sourced from PubChem (CID 532667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).