2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile

C14H22N2OSi — CID 15414678

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C(C#N)C#N)CC1
InChIInChI=1S/C14H22N2OSi/c1-14(2,3)18(4,5)17-13-7-6-11(8-13)12(9-15)10-16/h8,11-12H,6-7H2,1-5H3
InChIKeyMBKXHCJZQQLUHH-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.97
Rot. Bonds3

About 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile

2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile (PubChem CID 15414678) has the molecular formula C14H22N2OSi and a molecular weight of 262.43 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile
PubChem CID15414678
Molecular FormulaC14H22N2OSi
Molecular Weight262.43 g/mol
Exact Mass262.15
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile
SMILESCC(C)(C)[Si](C)(C)OC1=CC(C(C#N)C#N)CC1
InChIInChI=1S/C14H22N2OSi/c1-14(2,3)18(4,5)17-13-7-6-11(8-13)12(9-15)10-16/h8,11-12H,6-7H2,1-5H3
InChIKeyMBKXHCJZQQLUHH-UHFFFAOYSA-N
XLogP3.97
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.97
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 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile (CID 15414678) is 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile is CC(C)(C)[Si](C)(C)OC1=CC(C(C#N)C#N)CC1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile?
The InChIKey is MBKXHCJZQQLUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OSi/c1-14(2,3)18(4,5)17-13-7-6-11(8-13)12(9-15)10-16/h8,11-12H,6-7H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile?
2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile has a molecular weight of 262.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]propanedinitrile is sourced from PubChem (CID 15414678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).