tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane

C51H72Si2 — CID 101194212

IUPACtri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane
SMILESCC(C)[Si](C#CC(C#CC#CC(C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C51H72Si2/c1-40(2)52(41(3)4,42(5)6)38-36-50(48-28-18-14-19-29-48)34-24-22-32-47(46-26-16-13-17-27-46)33-23-25-35-51(49-30-20-15-21-31-49)37-39-53(43(7)8,44(9)10)45(11)12/h40-45H,13-21,26-31H2,1-12H3
InChIKeyOBPQXIXZGBELOM-UHFFFAOYSA-N
MW741.31 g/mol
LogP14.22
Rot. Bonds6

About tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane

tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane (PubChem CID 101194212) has the molecular formula C51H72Si2 and a molecular weight of 741.31 g/mol. Its IUPAC name is tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane
PubChem CID101194212
Molecular FormulaC51H72Si2
Molecular Weight741.31 g/mol
Exact Mass740.52
IUPAC Nametri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane
SMILESCC(C)[Si](C#CC(C#CC#CC(C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C51H72Si2/c1-40(2)52(41(3)4,42(5)6)38-36-50(48-28-18-14-19-29-48)34-24-22-32-47(46-26-16-13-17-27-46)33-23-25-35-51(49-30-20-15-21-31-49)37-39-53(43(7)8,44(9)10)45(11)12/h40-45H,13-21,26-31H2,1-12H3
InChIKeyOBPQXIXZGBELOM-UHFFFAOYSA-N
XLogP14.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.31
LogP ≤ 514.22
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-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane with MolForge

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Related Compounds

[3-[4-[1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 15363827
[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-Cyclohexylidene-5-trimethylsilylpenta-1,4-diynyl)-trimethylsilane
CID 10684806
[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
3,9,15-Tri(cyclohexylidene)-6,12,18-tri(propan-2-ylidene)cyclooctadeca-1,4,7,10,13,16-hexayne
CID 100943417
[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
[3-Cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
CID 101194215
[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-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane?
The IUPAC name of 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) is tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane is CC(C)[Si](C#CC(C#CC#CC(C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane?
The InChIKey is OBPQXIXZGBELOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H72Si2/c1-40(2)52(41(3)4,42(5)6)38-36-50(48-28-18-14-19-29-48)34-24-22-32-47(46-26-16-13-17-27-46)33-23-25-35-51(49-30-20-15-21-31-49)37-39-53(43(7)8,44(9)10)45(11)12/h40-45H,13-21,26-31H2,1-12H3.
What are the key properties of tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane?
tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane has a molecular weight of 741.31 g/mol, XLogP of 14.22, 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-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane is sourced from PubChem (CID 101194212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).