triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane

C20H36Si2 — CID 86059387

IUPACtriethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
SMILESC=CC(C)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C20H36Si2/c1-9-20(8,16-18-21(10-2,11-3)12-4)17-19-22(13-5,14-6)15-7/h9H,1,10-15H2,2-8H3
InChIKeyGCNVKVQEBOMEJJ-UHFFFAOYSA-N
MW332.68 g/mol
LogP6.28
Rot. Bonds7

About triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane

triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane (PubChem CID 86059387) has the molecular formula C20H36Si2 and a molecular weight of 332.68 g/mol. Its IUPAC name is triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane.

Molecular Properties

Compound Nametriethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
PubChem CID86059387
Molecular FormulaC20H36Si2
Molecular Weight332.68 g/mol
Exact Mass332.24
IUPAC Nametriethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
SMILESC=CC(C)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C20H36Si2/c1-9-20(8,16-18-21(10-2,11-3)12-4)17-19-22(13-5,14-6)15-7/h9H,1,10-15H2,2-8H3
InChIKeyGCNVKVQEBOMEJJ-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.68
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tri(propan-2-yl)-[4-tri(propan-2-yl)silylhexa-4,5-dien-1-ynyl]silane
CID 10363007
Tris(2-methylpropyl)-[4-[tris(2-methylpropyl)silyl]hexa-4,5-dien-1-ynyl]silane
CID 10390165
(e)-1,4-Bis(t-butyl-dimethylsilyl)but-1-en-3-yn
CID 101963058
3,3-Bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane
CID 102353043
trimethyl-[(3E,7E,11E)-2,2,13,13-tetramethyl-8-trimethylsilyltetradeca-3,7,11-trien-5,9-diyn-7-yl]silane
CID 102473890
triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane
CID 134966781
3,3-Bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane
CID 11724226
Dimethyl-[2-methyl-2-(trimethylsilylmethyl)but-3-enyl]-(trimethylsilylmethyl)silane
CID 22088905
Trimethyl-(3-methyl-3-trimethylsilylpent-4-en-1-ynyl)silane
CID 10082370
Tert-butyl-[4-[tert-butyl(dimethyl)silyl]hexa-4,5-dien-1-ynyl]-dimethylsilane
CID 10267182
Tert-butyl-dimethyl-(8-trimethylsilylocta-1,2-dien-7-ynyl)silane
CID 11033675
[3-Ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane
CID 86059374

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane?
The IUPAC name of triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane (CID 86059387) is triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane.
What is the SMILES notation for triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane?
The canonical SMILES for triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane is C=CC(C)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane?
The InChIKey is GCNVKVQEBOMEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36Si2/c1-9-20(8,16-18-21(10-2,11-3)12-4)17-19-22(13-5,14-6)15-7/h9H,1,10-15H2,2-8H3.
What are the key properties of triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane?
triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane has a molecular weight of 332.68 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane is sourced from PubChem (CID 86059387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).