trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane

C48H88Si10 — CID 100963402

IUPACtrimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane
SMILESCC[Si]1(CC)C#CC2=C([Si](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C2C#C[Si](CC)(CC)[Si](CC)(CC)C#CC2=C([Si](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C2C#C[Si]1(CC)CC
InChIInChI=1S/C48H88Si10/c1-25-55(26-2)37-33-41-43(47(51(15,16)17)53(21,22)45(41)49(9,10)11)35-39-57(29-5,30-6)58(31-7,32-8)40-36-44-42(34-38-56(55,27-3)28-4)46(50(12,13)14)54(23,24)48(44)52(18,19)20/h25-32H2,1-24H3
InChIKeyYBXSZWAEYUYWDU-UHFFFAOYSA-N
MW946.09 g/mol
LogP14.58
Rot. Bonds12

About trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane

trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane (PubChem CID 100963402) has the molecular formula C48H88Si10 and a molecular weight of 946.09 g/mol. Its IUPAC name is trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane
PubChem CID100963402
Molecular FormulaC48H88Si10
Molecular Weight946.09 g/mol
Exact Mass944.46
IUPAC Nametrimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane
SMILESCC[Si]1(CC)C#CC2=C([Si](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C2C#C[Si](CC)(CC)[Si](CC)(CC)C#CC2=C([Si](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C2C#C[Si]1(CC)CC
InChIInChI=1S/C48H88Si10/c1-25-55(26-2)37-33-41-43(47(51(15,16)17)53(21,22)45(41)49(9,10)11)35-39-57(29-5,30-6)58(31-7,32-8)40-36-44-42(34-38-56(55,27-3)28-4)46(50(12,13)14)54(23,24)48(44)52(18,19)20/h25-32H2,1-24H3
InChIKeyYBXSZWAEYUYWDU-UHFFFAOYSA-N
XLogP14.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.09
LogP ≤ 514.58
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-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane with MolForge

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Related Compounds

[3,4-Dimethylidene-6-tri(propan-2-yl)silylhexa-1,5-diynyl]-tri(propan-2-yl)silane
CID 10835624
trimethyl-[(3Z,4Z)-6-trimethylsilyl-3,4-bis(trimethylsilylmethylidene)hexa-1,5-diynyl]silane
CID 11429239
1,1-Dimethyl-2,5-bis(trimethylsilyl)-3,4-diethynyl-1-sila-2,4-cyclopentadiene
CID 102064386
[4,4,9,9,14,14-Hexamethyl-5,8,15-tris(trimethylsilyl)-4,9,14-trisilabicyclo[10.3.0]pentadeca-1(15),5,6,7,12-pentaen-2,10-diyn-13-yl]-trimethylsilane
CID 10930123
Trimethyl-(4,4,5,5-tetraethyl-10,10-dimethyl-11-trimethylsilyl-4,5,10-trisilabicyclo[6.3.0]undeca-1(11),8-dien-2,6-diyn-9-yl)silane
CID 10950823
(4,4,5,5,10,10-Hexamethyl-11-trimethylsilyl-4,5,10-trisilabicyclo[6.3.0]undeca-1(11),8-dien-2,6-diyn-9-yl)-trimethylsilane
CID 11048006
[(1E,3Z)-3,4-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)buta-1,3-dienyl]-trimethylsilane
CID 11187732
[3,6-Bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane
CID 11828192
Trimethyl-[4,4,9,9-tetraethyl-14,14-dimethyl-5,8,15-tris(trimethylsilyl)-4,9,14-trisilabicyclo[10.3.0]pentadeca-1(15),5,6,7,12-pentaen-2,10-diyn-13-yl]silane
CID 100947594
(4,5-Dibutyl-4,5,10,10-tetramethyl-11-trimethylsilyl-4,5,10-trisilabicyclo[6.3.0]undeca-1(11),8-dien-2,6-diyn-9-yl)-trimethylsilane
CID 101987415
CID 136741776
CID 136741776
CID 136741777
CID 136741777

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane?
The IUPAC name of trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane (CID 100963402) is trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane.
What is the SMILES notation for trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane?
The canonical SMILES for trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane is CC[Si]1(CC)C#CC2=C([Si](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C2C#C[Si](CC)(CC)[Si](CC)(CC)C#CC2=C([Si](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C2C#C[Si]1(CC)CC.
What is the InChIKey of trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane?
The InChIKey is YBXSZWAEYUYWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H88Si10/c1-25-55(26-2)37-33-41-43(47(51(15,16)17)53(21,22)45(41)49(9,10)11)35-39-57(29-5,30-6)58(31-7,32-8)40-36-44-42(34-38-56(55,27-3)28-4)46(50(12,13)14)54(23,24)48(44)52(18,19)20/h25-32H2,1-24H3.
What are the key properties of trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane?
trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane has a molecular weight of 946.09 g/mol, XLogP of 14.58, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4,4,5,5,15,15,16,16-octaethyl-10,10,21,21-tetramethyl-11,20,22-tris(trimethylsilyl)-4,5,10,15,16,21-hexasilatricyclo[17.3.0.08,12]docosa-1(22),8,11,19-tetraen-2,6,13,17-tetrayn-9-yl]silane is sourced from PubChem (CID 100963402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).