tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane

C62H82Si2 — CID 101194214

IUPACtri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane
SMILESCC(C)[Si](C#CC(C#CC#CC(C#CC#CC(C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C62H82Si2/c1-49(2)63(50(3)4,51(5)6)47-45-61(59-35-21-15-22-36-59)43-29-27-41-57(55-31-17-13-18-32-55)39-25-26-40-58(56-33-19-14-20-34-56)42-28-30-44-62(60-37-23-16-24-38-60)46-48-64(52(7)8,53(9)10)54(11)12/h49-54H,13-24,31-38H2,1-12H3
InChIKeyZUPPAGKOTJVINE-UHFFFAOYSA-N
MW883.51 g/mol
LogP16.49
Rot. Bonds6

About tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane

tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane (PubChem CID 101194214) has the molecular formula C62H82Si2 and a molecular weight of 883.51 g/mol. Its IUPAC name is tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane
PubChem CID101194214
Molecular FormulaC62H82Si2
Molecular Weight883.51 g/mol
Exact Mass882.60
IUPAC Nametri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane
SMILESCC(C)[Si](C#CC(C#CC#CC(C#CC#CC(C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C62H82Si2/c1-49(2)63(50(3)4,51(5)6)47-45-61(59-35-21-15-22-36-59)43-29-27-41-57(55-31-17-13-18-32-55)39-25-26-40-58(56-33-19-14-20-34-56)42-28-30-44-62(60-37-23-16-24-38-60)46-48-64(52(7)8,53(9)10)54(11)12/h49-54H,13-24,31-38H2,1-12H3
InChIKeyZUPPAGKOTJVINE-UHFFFAOYSA-N
XLogP16.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.51
LogP ≤ 516.49
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 tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane with MolForge

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Related Compounds

[6,12-Di(cyclohexylidene)-16-methyl-3,9-di(propan-2-ylidene)-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,7,10,13-pentaynyl]-trimethylsilane
CID 134901393
[3,9-Di(cyclohexylidene)-6-propan-2-ylidene-11-trimethylsilylundeca-1,4,7,10-tetraynyl]-trimethylsilane
CID 135046217
[3-[4-[1,5-Bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
CID 15363828
Tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane
CID 101194212
[3,8-Di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
CID 101194213
[3,8,13,18,23,28,33,38-Octa(cyclohexylidene)-40-tri(propan-2-yl)silyltetraconta-1,4,6,9,11,14,16,19,21,24,26,29,31,34,36,39-hexadecaynyl]-tri(propan-2-yl)silane
CID 101194216

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane?
The IUPAC name of tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane (CID 101194214) is tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane is CC(C)[Si](C#CC(C#CC#CC(C#CC#CC(C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane?
The InChIKey is ZUPPAGKOTJVINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H82Si2/c1-49(2)63(50(3)4,51(5)6)47-45-61(59-35-21-15-22-36-59)43-29-27-41-57(55-31-17-13-18-32-55)39-25-26-40-58(56-33-19-14-20-34-56)42-28-30-44-62(60-37-23-16-24-38-60)46-48-64(52(7)8,53(9)10)54(11)12/h49-54H,13-24,31-38H2,1-12H3.
What are the key properties of tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane?
tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane has a molecular weight of 883.51 g/mol, XLogP of 16.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[3,8,13,18-tetra(cyclohexylidene)-20-tri(propan-2-yl)silylicosa-1,4,6,9,11,14,16,19-octaynyl]silane is sourced from PubChem (CID 101194214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).