3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane

C27H48Si3 — CID 102353043

IUPAC3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane
SMILESC=CC(C#C[Si](CC)(CC)CC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C27H48Si3/c1-11-27(21-24-28(12-2,13-3)14-4,22-25-29(15-5,16-6)17-7)23-26-30(18-8,19-9)20-10/h11H,1,12-20H2,2-10H3
InChIKeySJQDHCRQKHPQFU-UHFFFAOYSA-N
MW456.94 g/mol
LogP8.31
Rot. Bonds10

About 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane

3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane (PubChem CID 102353043) has the molecular formula C27H48Si3 and a molecular weight of 456.94 g/mol. Its IUPAC name is 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane.

Molecular Properties

Compound Name3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane
PubChem CID102353043
Molecular FormulaC27H48Si3
Molecular Weight456.94 g/mol
Exact Mass456.31
IUPAC Name3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane
SMILESC=CC(C#C[Si](CC)(CC)CC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C27H48Si3/c1-11-27(21-24-28(12-2,13-3)14-4,22-25-29(15-5,16-6)17-7)23-26-30(18-8,19-9)20-10/h11H,1,12-20H2,2-10H3
InChIKeySJQDHCRQKHPQFU-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.94
LogP ≤ 58.31
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
Triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
CID 86059387
(e)-1,4-Bis(t-butyl-dimethylsilyl)but-1-en-3-yn
CID 101963058
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 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane?
The IUPAC name of 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane (CID 102353043) is 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane.
What is the SMILES notation for 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane?
The canonical SMILES for 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane is C=CC(C#C[Si](CC)(CC)CC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC.
What is the InChIKey of 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane?
The InChIKey is SJQDHCRQKHPQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48Si3/c1-11-27(21-24-28(12-2,13-3)14-4,22-25-29(15-5,16-6)17-7)23-26-30(18-8,19-9)20-10/h11H,1,12-20H2,2-10H3.
What are the key properties of 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane?
3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane has a molecular weight of 456.94 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane is sourced from PubChem (CID 102353043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).