[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

C106H122Si2 — CID 101194216

IUPAC[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
SMILESCC(C)[Si](C#CC(C#CC#CC(C#CC#CC(C#CC#CC(C#CC#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)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C106H122Si2/c1-85(2)107(86(3)4,87(5)6)83-81-105(103-63-33-19-34-64-103)79-49-47-77-101(95-59-29-17-30-60-95)75-45-43-73-99(93-55-25-15-26-56-93)71-41-39-69-97(91-51-21-13-22-52-91)67-37-38-68-98(92-53-23-14-24-54-92)70-40-42-72-100(94-57-27-16-28-58-94)74-44-46-76-102(96-61-31-18-32-62-96)78-48-50-80-106(104-65-35-20-36-66-104)82-84-108(88(7)8,89(9)10)90(11)12/h85-90H,13-36,51-66H2,1-12H3
InChIKeyHHVCXYJQNIIGOT-UHFFFAOYSA-N
MW1452.31 g/mol
LogP25.56
Rot. Bonds6

About [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

[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 (PubChem CID 101194216) has the molecular formula C106H122Si2 and a molecular weight of 1452.31 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID101194216
Molecular FormulaC106H122Si2
Molecular Weight1452.31 g/mol
Exact Mass1450.91
IUPAC Name[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
SMILESCC(C)[Si](C#CC(C#CC#CC(C#CC#CC(C#CC#CC(C#CC#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)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C106H122Si2/c1-85(2)107(86(3)4,87(5)6)83-81-105(103-63-33-19-34-64-103)79-49-47-77-101(95-59-29-17-30-60-95)75-45-43-73-99(93-55-25-15-26-56-93)71-41-39-69-97(91-51-21-13-22-52-91)67-37-38-68-98(92-53-23-14-24-54-92)70-40-42-72-100(94-57-27-16-28-58-94)74-44-46-76-102(96-61-31-18-32-62-96)78-48-50-80-106(104-65-35-20-36-66-104)82-84-108(88(7)8,89(9)10)90(11)12/h85-90H,13-36,51-66H2,1-12H3
InChIKeyHHVCXYJQNIIGOT-UHFFFAOYSA-N
XLogP25.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001452.31
LogP ≤ 525.56
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 [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 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
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
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)[Si](C#CC(C#CC#CC(C#CC#CC(C#CC#CC(C#CC#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)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of [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?
The InChIKey is HHVCXYJQNIIGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H122Si2/c1-85(2)107(86(3)4,87(5)6)83-81-105(103-63-33-19-34-64-103)79-49-47-77-101(95-59-29-17-30-60-95)75-45-43-73-99(93-55-25-15-26-56-93)71-41-39-69-97(91-51-21-13-22-52-91)67-37-38-68-98(92-53-23-14-24-54-92)70-40-42-72-100(94-57-27-16-28-58-94)74-44-46-76-102(96-61-31-18-32-62-96)78-48-50-80-106(104-65-35-20-36-66-104)82-84-108(88(7)8,89(9)10)90(11)12/h85-90H,13-36,51-66H2,1-12H3.
What are the key properties of [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?
[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 has a molecular weight of 1452.31 g/mol, XLogP of 25.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 101194216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).