trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane

C44H38Si2 — CID 5251055

IUPACtrimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c2c(c(C#C[Si](C)(C)C)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/C44H38Si2/c1-45(2,3)25-23-35-41-37-27-15-7-11-19-31(27)39(32-20-12-8-16-28(32)37)43(41)36(24-26-46(4,5)6)44-40-33-21-13-9-17-29(33)38(42(35)44)30-18-10-14-22-34(30)40/h7-22,37-40H,1-6H3
InChIKeyXLIBYJZMRXTGTD-UHFFFAOYSA-N
MW622.96 g/mol
LogP10.12
Rot. Bonds

About trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane

trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane (PubChem CID 5251055) has the molecular formula C44H38Si2 and a molecular weight of 622.96 g/mol. Its IUPAC name is trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane
PubChem CID5251055
Molecular FormulaC44H38Si2
Molecular Weight622.96 g/mol
Exact Mass622.25
IUPAC Nametrimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c2c(c(C#C[Si](C)(C)C)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/C44H38Si2/c1-45(2,3)25-23-35-41-37-27-15-7-11-19-31(27)39(32-20-12-8-16-28(32)37)43(41)36(24-26-46(4,5)6)44-40-33-21-13-9-17-29(33)38(42(35)44)30-18-10-14-22-34(30)40/h7-22,37-40H,1-6H3
InChIKeyXLIBYJZMRXTGTD-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.96
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane (CID 5251055) is trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane is C[Si](C)(C)C#Cc1c2c(c(C#C[Si](C)(C)C)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.
What is the InChIKey of trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane?
The InChIKey is XLIBYJZMRXTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38Si2/c1-45(2,3)25-23-35-41-37-27-15-7-11-19-31(27)39(32-20-12-8-16-28(32)37)43(41)36(24-26-46(4,5)6)44-40-33-21-13-9-17-29(33)38(42(35)44)30-18-10-14-22-34(30)40/h7-22,37-40H,1-6H3.
What are the key properties of trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane?
trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane has a molecular weight of 622.96 g/mol, XLogP of 10.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[14-(2-trimethylsilylethynyl)-3-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaenyl]ethynyl]silane is sourced from PubChem (CID 5251055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).