3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile

C12H21NOSi — CID 135070350

IUPAC3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C#N)CC1
InChIInChI=1S/C12H21NOSi/c1-12(2,3)15(4,5)14-11-7-6-10(8-11)9-13/h8,10H,6-7H2,1-5H3
InChIKeyMSIYARLMZRJNNG-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.83
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile

3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile (PubChem CID 135070350) has the molecular formula C12H21NOSi and a molecular weight of 223.39 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile
PubChem CID135070350
Molecular FormulaC12H21NOSi
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C#N)CC1
InChIInChI=1S/C12H21NOSi/c1-12(2,3)15(4,5)14-11-7-6-10(8-11)9-13/h8,10H,6-7H2,1-5H3
InChIKeyMSIYARLMZRJNNG-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile (CID 135070350) is 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile is CC(C)(C)[Si](C)(C)OC1=CC(C#N)CC1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile?
The InChIKey is MSIYARLMZRJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOSi/c1-12(2,3)15(4,5)14-11-7-6-10(8-11)9-13/h8,10H,6-7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile?
3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile has a molecular weight of 223.39 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile is sourced from PubChem (CID 135070350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).