3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile

C27H37NOSi — CID 59714965

IUPAC3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile
SMILESCC(C)(C)[Si](OCCC1(CCC#N)CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H37NOSi/c1-26(2,3)30(24-14-7-4-8-15-24,25-16-9-5-10-17-25)29-23-21-27(20-13-22-28)18-11-6-12-19-27/h4-5,7-10,14-17H,6,11-13,18-21,23H2,1-3H3
InChIKeyZKKMOUHSSUGXIJ-UHFFFAOYSA-N
MW419.69 g/mol
LogP6.21
Rot. Bonds8

About 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile

3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile (PubChem CID 59714965) has the molecular formula C27H37NOSi and a molecular weight of 419.69 g/mol. Its IUPAC name is 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile.

Molecular Properties

Compound Name3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile
PubChem CID59714965
Molecular FormulaC27H37NOSi
Molecular Weight419.69 g/mol
Exact Mass419.26
IUPAC Name3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile
SMILESCC(C)(C)[Si](OCCC1(CCC#N)CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H37NOSi/c1-26(2,3)30(24-14-7-4-8-15-24,25-16-9-5-10-17-25)29-23-21-27(20-13-22-28)18-11-6-12-19-27/h4-5,7-10,14-17H,6,11-13,18-21,23H2,1-3H3
InChIKeyZKKMOUHSSUGXIJ-UHFFFAOYSA-N
XLogP6.21
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.69
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[1-(2-morpholin-4-ylethyl)cyclohexyl]ethoxy]-diphenylsilane
CID 57427861
3-[4-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]butoxycarbonyl]-4-ethoxy-4-oxobutanoic acid
CID 174441455
2-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxetan-3-yl]ethanol
CID 177119133
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
CID 169182525
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde
CID 59714908
4-[tert-butyl(diphenyl)silyl]oxy-N,2,2-trimethylbutan-1-amine
CID 66997840
tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
CID 11082053
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile?
The IUPAC name of 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile (CID 59714965) is 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile.
What is the SMILES notation for 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile?
The canonical SMILES for 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile is CC(C)(C)[Si](OCCC1(CCC#N)CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile?
The InChIKey is ZKKMOUHSSUGXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NOSi/c1-26(2,3)30(24-14-7-4-8-15-24,25-16-9-5-10-17-25)29-23-21-27(20-13-22-28)18-11-6-12-19-27/h4-5,7-10,14-17H,6,11-13,18-21,23H2,1-3H3.
What are the key properties of 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile?
3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile has a molecular weight of 419.69 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]propanenitrile is sourced from PubChem (CID 59714965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).