6,6-dichloro-5-silyloxyhexanenitrile

C6H11Cl2NOSi — CID 173033719

IUPAC6,6-dichloro-5-silyloxyhexanenitrile
SMILESN#CCCCC(O[SiH3])C(Cl)Cl
InChIInChI=1S/C6H11Cl2NOSi/c7-6(8)5(10-11)3-1-2-4-9/h5-6H,1-3H2,11H3
InChIKeyINWCNWZYPFYBOI-UHFFFAOYSA-N
MW212.15 g/mol
LogP1.15
Rot. Bonds5

About 6,6-dichloro-5-silyloxyhexanenitrile

6,6-dichloro-5-silyloxyhexanenitrile (PubChem CID 173033719) has the molecular formula C6H11Cl2NOSi and a molecular weight of 212.15 g/mol. Its IUPAC name is 6,6-dichloro-5-silyloxyhexanenitrile.

Molecular Properties

Compound Name6,6-dichloro-5-silyloxyhexanenitrile
PubChem CID173033719
Molecular FormulaC6H11Cl2NOSi
Molecular Weight212.15 g/mol
Exact Mass211.00
IUPAC Name6,6-dichloro-5-silyloxyhexanenitrile
SMILESN#CCCCC(O[SiH3])C(Cl)Cl
InChIInChI=1S/C6H11Cl2NOSi/c7-6(8)5(10-11)3-1-2-4-9/h5-6H,1-3H2,11H3
InChIKeyINWCNWZYPFYBOI-UHFFFAOYSA-N
XLogP1.15
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 51.15
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

5,5-dichloro-4-silyloxypentanenitrile
CID 173033689
3-methylheptanedinitrile
CID 91621031
henicosanedinitrile
CID 87345062
3-(cyanomethyl)octanedinitrile
CID 122418868
4-chloro-4-iodobutanenitrile
CID 19927212
4-[methyl(silyloxy)silyl]butanenitrile
CID 173149550
3-cyanopropyl(triethyl)phosphanium
CID 132518200
dodecane-1,3,6,9,12-pentacarbonitrile
CID 170446647
5-silylpentanenitrile
CID 173242016
dodecane-1,4,6,9,12-pentacarbonitrile
CID 170446642
2,2-dichloroheptanedinitrile
CID 86237913
octane-1,3,5,8-tetracarbonitrile
CID 154124005

Frequently Asked Questions

What is the IUPAC name of 6,6-dichloro-5-silyloxyhexanenitrile?
The IUPAC name of 6,6-dichloro-5-silyloxyhexanenitrile (CID 173033719) is 6,6-dichloro-5-silyloxyhexanenitrile.
What is the SMILES notation for 6,6-dichloro-5-silyloxyhexanenitrile?
The canonical SMILES for 6,6-dichloro-5-silyloxyhexanenitrile is N#CCCCC(O[SiH3])C(Cl)Cl.
What is the InChIKey of 6,6-dichloro-5-silyloxyhexanenitrile?
The InChIKey is INWCNWZYPFYBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2NOSi/c7-6(8)5(10-11)3-1-2-4-9/h5-6H,1-3H2,11H3.
What are the key properties of 6,6-dichloro-5-silyloxyhexanenitrile?
6,6-dichloro-5-silyloxyhexanenitrile has a molecular weight of 212.15 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichloro-5-silyloxyhexanenitrile is sourced from PubChem (CID 173033719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).