5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile

C12H19NO2Si — CID 68522108

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C#N)co1
InChIInChI=1S/C12H19NO2Si/c1-12(2,3)16(4,5)15-9-11-6-10(7-13)8-14-11/h6,8H,9H2,1-5H3
InChIKeyURQACZISDJAKKC-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.67
Rot. Bonds3

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile

5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile (PubChem CID 68522108) has the molecular formula C12H19NO2Si and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile
PubChem CID68522108
Molecular FormulaC12H19NO2Si
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C#N)co1
InChIInChI=1S/C12H19NO2Si/c1-12(2,3)16(4,5)15-9-11-6-10(7-13)8-14-11/h6,8H,9H2,1-5H3
InChIKeyURQACZISDJAKKC-UHFFFAOYSA-N
XLogP3.67
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile (CID 68522108) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile is CC(C)(C)[Si](C)(C)OCc1cc(C#N)co1.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile?
The InChIKey is URQACZISDJAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2Si/c1-12(2,3)16(4,5)15-9-11-6-10(7-13)8-14-11/h6,8H,9H2,1-5H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile has a molecular weight of 237.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile is sourced from PubChem (CID 68522108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).