2-[[chloro(dimethyl)silyl]methyl]butanenitrile

C7H14ClNSi — CID 140812527

IUPAC2-[[chloro(dimethyl)silyl]methyl]butanenitrile
SMILESCCC(C#N)C[Si](C)(C)Cl
InChIInChI=1S/C7H14ClNSi/c1-4-7(5-9)6-10(2,3)8/h7H,4,6H2,1-3H3
InChIKeyCKMHEWGJCIFOOI-UHFFFAOYSA-N
MW175.73 g/mol
LogP2.98
Rot. Bonds3

About 2-[[chloro(dimethyl)silyl]methyl]butanenitrile

2-[[chloro(dimethyl)silyl]methyl]butanenitrile (PubChem CID 140812527) has the molecular formula C7H14ClNSi and a molecular weight of 175.73 g/mol. Its IUPAC name is 2-[[chloro(dimethyl)silyl]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[chloro(dimethyl)silyl]methyl]butanenitrile
PubChem CID140812527
Molecular FormulaC7H14ClNSi
Molecular Weight175.73 g/mol
Exact Mass175.06
IUPAC Name2-[[chloro(dimethyl)silyl]methyl]butanenitrile
SMILESCCC(C#N)C[Si](C)(C)Cl
InChIInChI=1S/C7H14ClNSi/c1-4-7(5-9)6-10(2,3)8/h7H,4,6H2,1-3H3
InChIKeyCKMHEWGJCIFOOI-UHFFFAOYSA-N
XLogP2.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.73
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-ethylpentanenitrile
CID 118459280
chloro-dimethyl-(2-methylbutyl)silane
CID 53422843
chloro-(2-chloropropyl)-dimethylsilane
CID 11355737
2-ethyl-4-trimethylsilyloxyiminobutanenitrile
CID 140887655
chloro-dicyano-ethylphosphanium
CID 87318845
butan-2-yl-dichloro-methylsilane
CID 24962724
sodium 2-methylbutanenitrile
CID 23346888
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]butanenitrile
CID 116931503
2-ethylhept-6-ynenitrile
CID 25268245
2-ethyl-4-(methylideneamino)butanenitrile
CID 122461150
3-[difluoro(methyl)silyl]-2-ethylbutanenitrile
CID 140812661
decane-2,3,7-tricarbonitrile
CID 175423203

Frequently Asked Questions

What is the IUPAC name of 2-[[chloro(dimethyl)silyl]methyl]butanenitrile?
The IUPAC name of 2-[[chloro(dimethyl)silyl]methyl]butanenitrile (CID 140812527) is 2-[[chloro(dimethyl)silyl]methyl]butanenitrile.
What is the SMILES notation for 2-[[chloro(dimethyl)silyl]methyl]butanenitrile?
The canonical SMILES for 2-[[chloro(dimethyl)silyl]methyl]butanenitrile is CCC(C#N)C[Si](C)(C)Cl.
What is the InChIKey of 2-[[chloro(dimethyl)silyl]methyl]butanenitrile?
The InChIKey is CKMHEWGJCIFOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNSi/c1-4-7(5-9)6-10(2,3)8/h7H,4,6H2,1-3H3.
What are the key properties of 2-[[chloro(dimethyl)silyl]methyl]butanenitrile?
2-[[chloro(dimethyl)silyl]methyl]butanenitrile has a molecular weight of 175.73 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[chloro(dimethyl)silyl]methyl]butanenitrile is sourced from PubChem (CID 140812527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).