triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane

C41H46Si2 — CID 90824517

IUPACtriethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane
SMILESCC[Si](C#CC1=CC=C2C=c3cccc(C#C[Si](CC)(CC)CC)c3=C3C=CC4=C5C=CC=CC5C=CC14C23)(CC)CC
InChIInChI=1S/C41H46Si2/c1-7-42(8-2,9-3)28-25-32-17-15-18-33-30-34-20-21-35(26-29-43(10-4,11-5)12-6)41-27-24-31-16-13-14-19-36(31)38(41)23-22-37(39(32)33)40(34)41/h13-24,27,30-31,40H,7-12H2,1-6H3
InChIKeyJJTONGDXTQCLIP-UHFFFAOYSA-N
MW594.99 g/mol
LogP8.73
Rot. Bonds6

About triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane

triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane (PubChem CID 90824517) has the molecular formula C41H46Si2 and a molecular weight of 594.99 g/mol. Its IUPAC name is triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane.

Molecular Properties

Compound Nametriethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane
PubChem CID90824517
Molecular FormulaC41H46Si2
Molecular Weight594.99 g/mol
Exact Mass594.31
IUPAC Nametriethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane
SMILESCC[Si](C#CC1=CC=C2C=c3cccc(C#C[Si](CC)(CC)CC)c3=C3C=CC4=C5C=CC=CC5C=CC14C23)(CC)CC
InChIInChI=1S/C41H46Si2/c1-7-42(8-2,9-3)28-25-32-17-15-18-33-30-34-20-21-35(26-29-43(10-4,11-5)12-6)41-27-24-31-16-13-14-19-36(31)38(41)23-22-37(39(32)33)40(34)41/h13-24,27,30-31,40H,7-12H2,1-6H3
InChIKeyJJTONGDXTQCLIP-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.99
LogP ≤ 58.73
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'}

Analyze triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane?
The IUPAC name of triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane (CID 90824517) is triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane.
What is the SMILES notation for triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane?
The canonical SMILES for triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane is CC[Si](C#CC1=CC=C2C=c3cccc(C#C[Si](CC)(CC)CC)c3=C3C=CC4=C5C=CC=CC5C=CC14C23)(CC)CC.
What is the InChIKey of triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane?
The InChIKey is JJTONGDXTQCLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46Si2/c1-7-42(8-2,9-3)28-25-32-17-15-18-33-30-34-20-21-35(26-29-43(10-4,11-5)12-6)41-27-24-31-16-13-14-19-36(31)38(41)23-22-37(39(32)33)40(34)41/h13-24,27,30-31,40H,7-12H2,1-6H3.
What are the key properties of triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane?
triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane has a molecular weight of 594.99 g/mol, XLogP of 8.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[15-(2-triethylsilylethynyl)-24-hexacyclo[11.11.1.01,10.04,9.014,19.021,25]pentacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenyl]ethynyl]silane is sourced from PubChem (CID 90824517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).