trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane

C40H44Si4 — CID 102311843

IUPACtrimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c2c(c(C#C[Si](C)(C)C)c3ccccc13)-c1c-2c(C#C[Si](C)(C)C)c2ccccc2c1C#C[Si](C)(C)C
InChIInChI=1S/C40H44Si4/c1-41(2,3)25-21-33-29-17-13-14-18-30(29)34(22-26-42(4,5)6)38-37(33)39-35(23-27-43(7,8)9)31-19-15-16-20-32(31)36(40(38)39)24-28-44(10,11)12/h13-20H,1-12H3
InChIKeyZNRQTKTYSGFWQA-UHFFFAOYSA-N
MW637.14 g/mol
LogP10.56
Rot. Bonds

About trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane

trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane (PubChem CID 102311843) has the molecular formula C40H44Si4 and a molecular weight of 637.14 g/mol. Its IUPAC name is trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane
PubChem CID102311843
Molecular FormulaC40H44Si4
Molecular Weight637.14 g/mol
Exact Mass636.25
IUPAC Nametrimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1c2c(c(C#C[Si](C)(C)C)c3ccccc13)-c1c-2c(C#C[Si](C)(C)C)c2ccccc2c1C#C[Si](C)(C)C
InChIInChI=1S/C40H44Si4/c1-41(2,3)25-21-33-29-17-13-14-18-30(29)34(22-26-42(4,5)6)38-37(33)39-35(23-27-43(7,8)9)31-19-15-16-20-32(31)36(40(38)39)24-28-44(10,11)12/h13-20H,1-12H3
InChIKeyZNRQTKTYSGFWQA-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.14
LogP ≤ 510.56
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-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane (CID 102311843) is trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane is C[Si](C)(C)C#Cc1c2c(c(C#C[Si](C)(C)C)c3ccccc13)-c1c-2c(C#C[Si](C)(C)C)c2ccccc2c1C#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane?
The InChIKey is ZNRQTKTYSGFWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44Si4/c1-41(2,3)25-21-33-29-17-13-14-18-30(29)34(22-26-42(4,5)6)38-37(33)39-35(23-27-43(7,8)9)31-19-15-16-20-32(31)36(40(38)39)24-28-44(10,11)12/h13-20H,1-12H3.
What are the key properties of trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane?
trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane has a molecular weight of 637.14 g/mol, XLogP of 10.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[10,13,20-tris(2-trimethylsilylethynyl)-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl]ethynyl]silane is sourced from PubChem (CID 102311843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).