[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane

C40H52Si2 — CID 102473895

IUPAC[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC#C/C(=C(/C#CC#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C40H52Si2/c1-31(2)41(32(3)4,33(5)6)29-21-19-27-39(37-23-15-13-16-24-37)40(38-25-17-14-18-26-38)28-20-22-30-42(34(7)8,35(9)10)36(11)12/h13-18,23-26,31-36H,1-12H3/b40-39+
InChIKeyIZCLUPYQUUYJQY-XQQUEIPISA-N
MW589.03 g/mol
LogP11.05
Rot. Bonds8

About [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane

[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane (PubChem CID 102473895) has the molecular formula C40H52Si2 and a molecular weight of 589.03 g/mol. Its IUPAC name is [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane
PubChem CID102473895
Molecular FormulaC40H52Si2
Molecular Weight589.03 g/mol
Exact Mass588.36
IUPAC Name[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC#C/C(=C(/C#CC#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C40H52Si2/c1-31(2)41(32(3)4,33(5)6)29-21-19-27-39(37-23-15-13-16-24-37)40(38-25-17-14-18-26-38)28-20-22-30-42(34(7)8,35(9)10)36(11)12/h13-18,23-26,31-36H,1-12H3/b40-39+
InChIKeyIZCLUPYQUUYJQY-XQQUEIPISA-N
XLogP11.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.03
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane (CID 102473895) is [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#CC#C/C(=C(/C#CC#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane?
The InChIKey is IZCLUPYQUUYJQY-XQQUEIPISA-N. The full InChI is InChI=1S/C40H52Si2/c1-31(2)41(32(3)4,33(5)6)29-21-19-27-39(37-23-15-13-16-24-37)40(38-25-17-14-18-26-38)28-20-22-30-42(34(7)8,35(9)10)36(11)12/h13-18,23-26,31-36H,1-12H3/b40-39+.
What are the key properties of [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane?
[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane has a molecular weight of 589.03 g/mol, XLogP of 11.05, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102473895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).