5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile

C12H21NOSi — CID 102012980

IUPAC5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1CCC=C1C#N
InChIInChI=1S/C12H21NOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(11)9-13/h7,11H,6,8H2,1-5H3
InChIKeyDOOAIZLXSFFXTA-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.62
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile

5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile (PubChem CID 102012980) has the molecular formula C12H21NOSi and a molecular weight of 223.39 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile
PubChem CID102012980
Molecular FormulaC12H21NOSi
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1CCC=C1C#N
InChIInChI=1S/C12H21NOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(11)9-13/h7,11H,6,8H2,1-5H3
InChIKeyDOOAIZLXSFFXTA-UHFFFAOYSA-N
XLogP3.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.62
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 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile (CID 102012980) is 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile is CC(C)(C)[Si](C)(C)OC1CCC=C1C#N.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile?
The InChIKey is DOOAIZLXSFFXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(11)9-13/h7,11H,6,8H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile?
5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile has a molecular weight of 223.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carbonitrile is sourced from PubChem (CID 102012980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).