4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile

C17H25NOSi — CID 69047618

IUPAC4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile
SMILESC[Si](CCCC#N)(Cc1ccccc1)C1CCCCO1
InChIInChI=1S/C17H25NOSi/c1-20(14-8-6-12-18,17-11-5-7-13-19-17)15-16-9-3-2-4-10-16/h2-4,9-10,17H,5-8,11,13-15H2,1H3
InChIKeyYQYVJQMCFGYPGD-UHFFFAOYSA-N
MW287.48 g/mol
LogP4.26
Rot. Bonds6

About 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile

4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile (PubChem CID 69047618) has the molecular formula C17H25NOSi and a molecular weight of 287.48 g/mol. Its IUPAC name is 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile.

Molecular Properties

Compound Name4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile
PubChem CID69047618
Molecular FormulaC17H25NOSi
Molecular Weight287.48 g/mol
Exact Mass287.17
IUPAC Name4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile
SMILESC[Si](CCCC#N)(Cc1ccccc1)C1CCCCO1
InChIInChI=1S/C17H25NOSi/c1-20(14-8-6-12-18,17-11-5-7-13-19-17)15-16-9-3-2-4-10-16/h2-4,9-10,17H,5-8,11,13-15H2,1H3
InChIKeyYQYVJQMCFGYPGD-UHFFFAOYSA-N
XLogP4.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 54.26
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

dimethyl-(oxolan-2-yl)-(2-phenylethyl)silane
CID 13268601
2-(oxan-2-yloxy)-3-phenylpropanenitrile
CID 14767297
dihydroxy-(oxan-2-yl)-phenylsilane
CID 175286326
ethylbenzene;2-methyloxane
CID 159203752
trimethyl-[oxan-2-yl(diphenyl)silyl]oxysilane
CID 57469192
3-methyl-2-(oxan-2-yloxy)-4-phenylbutanenitrile
CID 102467228
2-benzyloxepane
CID 14272917
2-(3-phenylpropylsulfonylmethyl)oxane
CID 78850846
oxan-2-yl(4-phenylbutyl)silane
CID 173014298
2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61222214
2-[(E)-5-phenylpent-1-enyl]oxane
CID 10242966
4-(2-cyclohexyl-1,3-dioxolan-2-yl)butanenitrile;N,N-dimethylaniline
CID 19880462

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile?
The IUPAC name of 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile (CID 69047618) is 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile.
What is the SMILES notation for 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile?
The canonical SMILES for 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile is C[Si](CCCC#N)(Cc1ccccc1)C1CCCCO1.
What is the InChIKey of 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile?
The InChIKey is YQYVJQMCFGYPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOSi/c1-20(14-8-6-12-18,17-11-5-7-13-19-17)15-16-9-3-2-4-10-16/h2-4,9-10,17H,5-8,11,13-15H2,1H3.
What are the key properties of 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile?
4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile has a molecular weight of 287.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-methyl-(oxan-2-yl)silyl]butanenitrile is sourced from PubChem (CID 69047618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).