2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile

C14H18N2Si2 — CID 101198613

IUPAC2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C(C#N)C#N
InChIInChI=1S/C14H18N2Si2/c1-17(2,3)9-7-13(14(11-15)12-16)8-10-18(4,5)6/h1-6H3
InChIKeyXFILSCVNGNDARI-UHFFFAOYSA-N
MW270.48 g/mol
LogP3.09
Rot. Bonds

About 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile

2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile (PubChem CID 101198613) has the molecular formula C14H18N2Si2 and a molecular weight of 270.48 g/mol. Its IUPAC name is 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile
PubChem CID101198613
Molecular FormulaC14H18N2Si2
Molecular Weight270.48 g/mol
Exact Mass270.10
IUPAC Name2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C(C#N)C#N
InChIInChI=1S/C14H18N2Si2/c1-17(2,3)9-7-13(14(11-15)12-16)8-10-18(4,5)6/h1-6H3
InChIKeyXFILSCVNGNDARI-UHFFFAOYSA-N
XLogP3.09
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile?
The IUPAC name of 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile (CID 101198613) is 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile.
What is the SMILES notation for 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile?
The canonical SMILES for 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile is C[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C(C#N)C#N.
What is the InChIKey of 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile?
The InChIKey is XFILSCVNGNDARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2Si2/c1-17(2,3)9-7-13(14(11-15)12-16)8-10-18(4,5)6/h1-6H3.
What are the key properties of 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile?
2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile has a molecular weight of 270.48 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile is sourced from PubChem (CID 101198613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).