5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile

C11H15NSi — CID 101474836

IUPAC5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile
SMILESCC(C)(C)[Si](C)(C)C#CC#CC#N
InChIInChI=1S/C11H15NSi/c1-11(2,3)13(4,5)10-8-6-7-9-12/h1-5H3
InChIKeyIWODQDGZEYKOMV-UHFFFAOYSA-N
MW189.33 g/mol
LogP2.56
Rot. Bonds

About 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile

5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile (PubChem CID 101474836) has the molecular formula C11H15NSi and a molecular weight of 189.33 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile
PubChem CID101474836
Molecular FormulaC11H15NSi
Molecular Weight189.33 g/mol
Exact Mass189.10
IUPAC Name5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile
SMILESCC(C)(C)[Si](C)(C)C#CC#CC#N
InChIInChI=1S/C11H15NSi/c1-11(2,3)13(4,5)10-8-6-7-9-12/h1-5H3
InChIKeyIWODQDGZEYKOMV-UHFFFAOYSA-N
XLogP2.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile (CID 101474836) is 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile is CC(C)(C)[Si](C)(C)C#CC#CC#N.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile?
The InChIKey is IWODQDGZEYKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NSi/c1-11(2,3)13(4,5)10-8-6-7-9-12/h1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile?
5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile has a molecular weight of 189.33 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile is sourced from PubChem (CID 101474836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).