trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane

C47H60Si2 — CID 11028819

IUPACtrimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane
SMILESC[Si](C)(C)C#CC(C#CC(C#CC(C#C[Si](C)(C)C)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C47H60Si2/c1-48(2,3)13-11-37(46-41-22-32-16-33(24-41)25-42(46)23-32)9-7-36(45-39-18-30-15-31(20-39)21-40(45)19-30)8-10-38(12-14-49(4,5)6)47-43-26-34-17-35(28-43)29-44(47)27-34/h30-35,39-44H,15-29H2,1-6H3/b45-36?,46-37-,47-38-
InChIKeyIXGNSSUDMQKCKT-LTCBHOBJSA-N
MW681.17 g/mol
LogP11.01
Rot. Bonds

About trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane

trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane (PubChem CID 11028819) has the molecular formula C47H60Si2 and a molecular weight of 681.17 g/mol. Its IUPAC name is trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane
PubChem CID11028819
Molecular FormulaC47H60Si2
Molecular Weight681.17 g/mol
Exact Mass680.42
IUPAC Nametrimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane
SMILESC[Si](C)(C)C#CC(C#CC(C#CC(C#C[Si](C)(C)C)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C47H60Si2/c1-48(2,3)13-11-37(46-41-22-32-16-33(24-41)25-42(46)23-32)9-7-36(45-39-18-30-15-31(20-39)21-40(45)19-30)8-10-38(12-14-49(4,5)6)47-43-26-34-17-35(28-43)29-44(47)27-34/h30-35,39-44H,15-29H2,1-6H3/b45-36?,46-37-,47-38-
InChIKeyIXGNSSUDMQKCKT-LTCBHOBJSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.17
LogP ≤ 511.01
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'}

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Related Compounds

3,4-Dicyclohexyl-2-[2-[3,4-dicyclohexyl-5-[2-(3,4-dicyclohexyl-1,1-diethylsilol-2-yl)ethynyl]-1,1-diethylsilol-2-yl]ethynyl]-1,1-diethyl-5-methylsilole
CID 140442044
Dicyclohexyl-bis[3-(4-cyclohexylcyclohexyl)but-2-en-2-yl]silane
CID 145811882
Tricyclohexyl-[3-[4-[4-(3-tricyclohexylsilylbut-2-en-2-yl)cyclohexyl]cyclohexyl]but-2-en-2-yl]silane
CID 145811910
[3-(2-Adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10688552
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
Trimethyl-[3,6,9,12,15-pentakis(2-adamantylidene)-17-trimethylsilylheptadeca-1,4,7,10,13,16-hexaynyl]silane
CID 15527428

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane?
The IUPAC name of trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane (CID 11028819) is trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane.
What is the SMILES notation for trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane?
The canonical SMILES for trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane is C[Si](C)(C)C#CC(C#CC(C#CC(C#C[Si](C)(C)C)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3)=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane?
The InChIKey is IXGNSSUDMQKCKT-LTCBHOBJSA-N. The full InChI is InChI=1S/C47H60Si2/c1-48(2,3)13-11-37(46-41-22-32-16-33(24-41)25-42(46)23-32)9-7-36(45-39-18-30-15-31(20-39)21-40(45)19-30)8-10-38(12-14-49(4,5)6)47-43-26-34-17-35(28-43)29-44(47)27-34/h30-35,39-44H,15-29H2,1-6H3/b45-36?,46-37-,47-38-.
What are the key properties of trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane?
trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane has a molecular weight of 681.17 g/mol, XLogP of 11.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3,6,9-tris(2-adamantylidene)-11-trimethylsilylundeca-1,4,7,10-tetraynyl]silane is sourced from PubChem (CID 11028819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).