1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile

C17H25NOSi — CID 67346164

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C1(C#N)CCC1
InChIInChI=1S/C17H25NOSi/c1-16(2,3)20(4,5)19-15-10-7-6-9-14(15)17(13-18)11-8-12-17/h6-7,9-10H,8,11-12H2,1-5H3
InChIKeyLICCHQNVIJYCRW-UHFFFAOYSA-N
MW287.48 g/mol
LogP5.02
Rot. Bonds3

About 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile

1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile (PubChem CID 67346164) has the molecular formula C17H25NOSi and a molecular weight of 287.48 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile
PubChem CID67346164
Molecular FormulaC17H25NOSi
Molecular Weight287.48 g/mol
Exact Mass287.17
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C1(C#N)CCC1
InChIInChI=1S/C17H25NOSi/c1-16(2,3)20(4,5)19-15-10-7-6-9-14(15)17(13-18)11-8-12-17/h6-7,9-10H,8,11-12H2,1-5H3
InChIKeyLICCHQNVIJYCRW-UHFFFAOYSA-N
XLogP5.02
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.48
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile (CID 67346164) is 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile is CC(C)(C)[Si](C)(C)Oc1ccccc1C1(C#N)CCC1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile?
The InChIKey is LICCHQNVIJYCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOSi/c1-16(2,3)20(4,5)19-15-10-7-6-9-14(15)17(13-18)11-8-12-17/h6-7,9-10H,8,11-12H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile?
1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile has a molecular weight of 287.48 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 67346164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).