[3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane

C25H42Si2 — CID 86059374

IUPAC[3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane
SMILESC=CC(C#CCCCC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C25H42Si2/c1-9-17-18-19-20-25(10-2,21-23-26(11-3,12-4)13-5)22-24-27(14-6,15-7)16-8/h10H,2,9,11-18H2,1,3-8H3
InChIKeyAAEUSXGWNMDFPR-UHFFFAOYSA-N
MW398.78 g/mol
LogP7.45
Rot. Bonds9

About [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane

[3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane (PubChem CID 86059374) has the molecular formula C25H42Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane.

Molecular Properties

Compound Name[3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane
PubChem CID86059374
Molecular FormulaC25H42Si2
Molecular Weight398.78 g/mol
Exact Mass398.28
IUPAC Name[3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane
SMILESC=CC(C#CCCCC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C25H42Si2/c1-9-17-18-19-20-25(10-2,21-23-26(11-3,12-4)13-5)22-24-27(14-6,15-7)16-8/h10H,2,9,11-18H2,1,3-8H3
InChIKeyAAEUSXGWNMDFPR-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
CID 86059387
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
3,3-Bis(2-trimethylsilylethynyl)pent-4-en-1-ynyl-trimethylsilane
CID 11724226
Tert-butyl-(8-dimethylsilyloct-1-en-7-yn-3-yl)-dimethylsilane
CID 173604358
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
Tert-butyl-dimethyl-tridec-12-en-1,7-diynylsilane
CID 85847669
5,5-Bis(2-triethylsilylethynyl)hept-6-en-1,3-diynyl-triethylsilane
CID 101740265
tert-butyl-dimethyl-[(1E)-3-methyl-3-[2-tri(propan-2-yl)silylethynyl]penta-1,4-dienyl]silane
CID 101868200
[(1E)-3,3-bis[2-tri(propan-2-yl)silylethynyl]penta-1,4-dienyl]-tert-butyl-dimethylsilane
CID 101868201

Frequently Asked Questions

What is the IUPAC name of [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane?
The IUPAC name of [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane (CID 86059374) is [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane.
What is the SMILES notation for [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane?
The canonical SMILES for [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane is C=CC(C#CCCCC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC.
What is the InChIKey of [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane?
The InChIKey is AAEUSXGWNMDFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42Si2/c1-9-17-18-19-20-25(10-2,21-23-26(11-3,12-4)13-5)22-24-27(14-6,15-7)16-8/h10H,2,9,11-18H2,1,3-8H3.
What are the key properties of [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane?
[3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane has a molecular weight of 398.78 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethenyl-3-(2-triethylsilylethynyl)nona-1,4-diynyl]-triethylsilane is sourced from PubChem (CID 86059374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).