[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

C44H56Si2 — CID 134901393

IUPAC[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
SMILESCC(C)=C(C#CC(C#CC(C#C[Si](C)(C)C)=C(C)C)=C1CCCCC1)C#CC(C#CC(C#C[Si](C)(C)C)=C(C)C)=C1CCCCC1
InChIInChI=1S/C44H56Si2/c1-35(2)38(23-27-43(41-19-15-13-16-20-41)29-25-39(36(3)4)31-33-45(7,8)9)24-28-44(42-21-17-14-18-22-42)30-26-40(37(5)6)32-34-46(10,11)12/h13-22H2,1-12H3
InChIKeyKDRRQRKEULPTEC-UHFFFAOYSA-N
MW641.10 g/mol
LogP11.29
Rot. Bonds

About [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

[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 (PubChem CID 134901393) has the molecular formula C44H56Si2 and a molecular weight of 641.10 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID134901393
Molecular FormulaC44H56Si2
Molecular Weight641.10 g/mol
Exact Mass640.39
IUPAC Name[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
SMILESCC(C)=C(C#CC(C#CC(C#C[Si](C)(C)C)=C(C)C)=C1CCCCC1)C#CC(C#CC(C#C[Si](C)(C)C)=C(C)C)=C1CCCCC1
InChIInChI=1S/C44H56Si2/c1-35(2)38(23-27-43(41-19-15-13-16-20-41)29-25-39(36(3)4)31-33-45(7,8)9)24-28-44(42-21-17-14-18-22-42)30-26-40(37(5)6)32-34-46(10,11)12/h13-22H2,1-12H3
InChIKeyKDRRQRKEULPTEC-UHFFFAOYSA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.10
LogP ≤ 511.29
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 [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 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
[3,9-Di(cyclohexylidene)-6-propan-2-ylidene-11-trimethylsilylundeca-1,4,7,10-tetraynyl]-trimethylsilane
CID 135046217
trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane
CID 15266021
(3-Cyclohexylidene-5-trimethylsilylpenta-1,4-diynyl)-trimethylsilane
CID 10684806
Tert-butyl-(3-cyclohexylidenepenta-1,4-diynyl)-dimethylsilane
CID 11708690
[(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11827786
[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
7,7-Ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene
CID 15534917
[3,4-Dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 57373168
[(Z)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967830
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)=C(C#CC(C#CC(C#C[Si](C)(C)C)=C(C)C)=C1CCCCC1)C#CC(C#CC(C#C[Si](C)(C)C)=C(C)C)=C1CCCCC1.
What is the InChIKey of [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?
The InChIKey is KDRRQRKEULPTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56Si2/c1-35(2)38(23-27-43(41-19-15-13-16-20-41)29-25-39(36(3)4)31-33-45(7,8)9)24-28-44(42-21-17-14-18-22-42)30-26-40(37(5)6)32-34-46(10,11)12/h13-22H2,1-12H3.
What are the key properties of [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?
[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 has a molecular weight of 641.10 g/mol, XLogP of 11.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 134901393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).