3-(dichloromethoxysilyl)propanenitrile

C4H7Cl2NOSi — CID 154498962

IUPAC3-(dichloromethoxysilyl)propanenitrile
SMILESN#CCC[SiH2]OC(Cl)Cl
InChIInChI=1S/C4H7Cl2NOSi/c5-4(6)8-9-3-1-2-7/h4H,1,3,9H2
InChIKeyAXVNVVDHIOPJEY-UHFFFAOYSA-N
MW184.10 g/mol
LogP1.18
Rot. Bonds4

About 3-(dichloromethoxysilyl)propanenitrile

3-(dichloromethoxysilyl)propanenitrile (PubChem CID 154498962) has the molecular formula C4H7Cl2NOSi and a molecular weight of 184.10 g/mol. Its IUPAC name is 3-(dichloromethoxysilyl)propanenitrile.

Molecular Properties

Compound Name3-(dichloromethoxysilyl)propanenitrile
PubChem CID154498962
Molecular FormulaC4H7Cl2NOSi
Molecular Weight184.10 g/mol
Exact Mass182.97
IUPAC Name3-(dichloromethoxysilyl)propanenitrile
SMILESN#CCC[SiH2]OC(Cl)Cl
InChIInChI=1S/C4H7Cl2NOSi/c5-4(6)8-9-3-1-2-7/h4H,1,3,9H2
InChIKeyAXVNVVDHIOPJEY-UHFFFAOYSA-N
XLogP1.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 51.18
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-(1,2-dichloroethoxysilyl)propanenitrile
CID 175461131
3-ethoxysilylpropanenitrile
CID 149437387
3-prop-1-en-2-yloxysilylpropanenitrile
CID 123926954
3-(diethoxymethylsilyl)propanenitrile
CID 154197522
4-chloro-4-iodobutanenitrile
CID 19927212
henicosanedinitrile
CID 87345062
5,5-dichloro-4-silyloxypentanenitrile
CID 173033689
methyl 2,2-bis(4-chlorophenyl)-6-cyanohexanoate
CID 162514890
6,6-dichloro-5-silyloxyhexanenitrile
CID 173033719
4-chlorobutanenitrile;diethoxysilane
CID 160880122
4-chlorohex-5-enenitrile
CID 119097357
4-chlorophosphanyloxybutanenitrile
CID 163644616

Frequently Asked Questions

What is the IUPAC name of 3-(dichloromethoxysilyl)propanenitrile?
The IUPAC name of 3-(dichloromethoxysilyl)propanenitrile (CID 154498962) is 3-(dichloromethoxysilyl)propanenitrile.
What is the SMILES notation for 3-(dichloromethoxysilyl)propanenitrile?
The canonical SMILES for 3-(dichloromethoxysilyl)propanenitrile is N#CCC[SiH2]OC(Cl)Cl.
What is the InChIKey of 3-(dichloromethoxysilyl)propanenitrile?
The InChIKey is AXVNVVDHIOPJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2NOSi/c5-4(6)8-9-3-1-2-7/h4H,1,3,9H2.
What are the key properties of 3-(dichloromethoxysilyl)propanenitrile?
3-(dichloromethoxysilyl)propanenitrile has a molecular weight of 184.10 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dichloromethoxysilyl)propanenitrile is sourced from PubChem (CID 154498962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).