4-[dichloro(methyl)silyl]butanenitrile

C5H9Cl2NSi — CID 14479

IUPAC4-[dichloro(methyl)silyl]butanenitrile
SMILESC[Si](Cl)(Cl)CCCC#N
InChIInChI=1S/C5H9Cl2NSi/c1-9(6,7)5-3-2-4-8/h2-3,5H2,1H3
InChIKeyUIFBMBZYGZSWQE-UHFFFAOYSA-N
MW182.13 g/mol
LogP2.84
Rot. Bonds3

About 4-[dichloro(methyl)silyl]butanenitrile

4-[dichloro(methyl)silyl]butanenitrile (PubChem CID 14479) has the molecular formula C5H9Cl2NSi and a molecular weight of 182.13 g/mol. Its IUPAC name is 4-[dichloro(methyl)silyl]butanenitrile.

Molecular Properties

Compound Name4-[dichloro(methyl)silyl]butanenitrile
PubChem CID14479
Molecular FormulaC5H9Cl2NSi
Molecular Weight182.13 g/mol
Exact Mass180.99
IUPAC Name4-[dichloro(methyl)silyl]butanenitrile
SMILESC[Si](Cl)(Cl)CCCC#N
InChIInChI=1S/C5H9Cl2NSi/c1-9(6,7)5-3-2-4-8/h2-3,5H2,1H3
InChIKeyUIFBMBZYGZSWQE-UHFFFAOYSA-N
XLogP2.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[dichloro(methyl)silyl]butanenitrile?
The IUPAC name of 4-[dichloro(methyl)silyl]butanenitrile (CID 14479) is 4-[dichloro(methyl)silyl]butanenitrile.
What is the SMILES notation for 4-[dichloro(methyl)silyl]butanenitrile?
The canonical SMILES for 4-[dichloro(methyl)silyl]butanenitrile is C[Si](Cl)(Cl)CCCC#N.
What is the InChIKey of 4-[dichloro(methyl)silyl]butanenitrile?
The InChIKey is UIFBMBZYGZSWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2NSi/c1-9(6,7)5-3-2-4-8/h2-3,5H2,1H3.
What are the key properties of 4-[dichloro(methyl)silyl]butanenitrile?
4-[dichloro(methyl)silyl]butanenitrile has a molecular weight of 182.13 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dichloro(methyl)silyl]butanenitrile is sourced from PubChem (CID 14479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).