trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane

C30H38Si2 — CID 10695054

IUPACtrimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#CC#CC2=C(C#C[Si](C)(C)C)C3CCC2CC3)C2CCC1CC2
InChIInChI=1S/C30H38Si2/c1-31(2,3)21-19-29-25-15-11-23(12-16-25)27(29)9-7-8-10-28-24-13-17-26(18-14-24)30(28)20-22-32(4,5)6/h23-26H,11-18H2,1-6H3
InChIKeyINDAADWXFNRFSZ-UHFFFAOYSA-N
MW454.81 g/mol
LogP6.99
Rot. Bonds

About trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane

trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane (PubChem CID 10695054) has the molecular formula C30H38Si2 and a molecular weight of 454.81 g/mol. Its IUPAC name is trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
PubChem CID10695054
Molecular FormulaC30H38Si2
Molecular Weight454.81 g/mol
Exact Mass454.25
IUPAC Nametrimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#CC#CC2=C(C#C[Si](C)(C)C)C3CCC2CC3)C2CCC1CC2
InChIInChI=1S/C30H38Si2/c1-31(2,3)21-19-29-25-15-11-23(12-16-25)27(29)9-7-8-10-28-24-13-17-26(18-14-24)30(28)20-22-32(4,5)6/h23-26H,11-18H2,1-6H3
InChIKeyINDAADWXFNRFSZ-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.81
LogP ≤ 56.99
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-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane with MolForge

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Related Compounds

Tricyclohexyl-[3-[4-[4-(3-tricyclohexylsilylbut-2-en-2-yl)cyclohexyl]cyclohexyl]but-2-en-2-yl]silane
CID 145811910
3,4-Dicyclohexy-1,6-bis(tert-butyldimethylsilyl)-3-hexen-1,5-diyne
CID 2758232
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane
CID 4712672
2-(15-Heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trienyl)ethynyl-trimethylsilane
CID 10094115
Trimethyl-[2-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
CID 10685655
[3-(2-Adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10688552
Trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane
CID 11028819
[(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11827786
Trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane
CID 15527428
[3,4-Dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 57373168
[(Z)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967830

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane (CID 10695054) is trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane is C[Si](C)(C)C#CC1=C(C#CC#CC2=C(C#C[Si](C)(C)C)C3CCC2CC3)C2CCC1CC2.
What is the InChIKey of trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane?
The InChIKey is INDAADWXFNRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38Si2/c1-31(2,3)21-19-29-25-15-11-23(12-16-25)27(29)9-7-8-10-28-24-13-17-26(18-14-24)30(28)20-22-32(4,5)6/h23-26H,11-18H2,1-6H3.
What are the key properties of trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane?
trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane has a molecular weight of 454.81 g/mol, XLogP of 6.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane is sourced from PubChem (CID 10695054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).