[(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane

C26H40Si2 — CID 11475339

IUPAC[(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(/C=C/C1CCCC1)=C(C#C[Si](C)(C)C)\C=C\C1CCCC1
InChIInChI=1S/C26H40Si2/c1-27(2,3)21-19-25(17-15-23-11-7-8-12-23)26(20-22-28(4,5)6)18-16-24-13-9-10-14-24/h15-18,23-24H,7-14H2,1-6H3/b17-15+,18-16+,26-25+
InChIKeyBQVQPGRABOFLEI-SLHGHMQTSA-N
MW408.78 g/mol
LogP7.54
Rot. Bonds4

About [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane

[(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane (PubChem CID 11475339) has the molecular formula C26H40Si2 and a molecular weight of 408.78 g/mol. Its IUPAC name is [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane
PubChem CID11475339
Molecular FormulaC26H40Si2
Molecular Weight408.78 g/mol
Exact Mass408.27
IUPAC Name[(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(/C=C/C1CCCC1)=C(C#C[Si](C)(C)C)\C=C\C1CCCC1
InChIInChI=1S/C26H40Si2/c1-27(2,3)21-19-25(17-15-23-11-7-8-12-23)26(20-22-28(4,5)6)18-16-24-13-9-10-14-24/h15-18,23-24H,7-14H2,1-6H3/b17-15+,18-16+,26-25+
InChIKeyBQVQPGRABOFLEI-SLHGHMQTSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.78
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane (CID 11475339) is [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane is C[Si](C)(C)C#CC(/C=C/C1CCCC1)=C(C#C[Si](C)(C)C)\C=C\C1CCCC1.
What is the InChIKey of [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane?
The InChIKey is BQVQPGRABOFLEI-SLHGHMQTSA-N. The full InChI is InChI=1S/C26H40Si2/c1-27(2,3)21-19-25(17-15-23-11-7-8-12-23)26(20-22-28(4,5)6)18-16-24-13-9-10-14-24/h15-18,23-24H,7-14H2,1-6H3/b17-15+,18-16+,26-25+.
What are the key properties of [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane?
[(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane has a molecular weight of 408.78 g/mol, XLogP of 7.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-6-cyclopentyl-3-[(E)-2-cyclopentylethenyl]-4-(2-trimethylsilylethynyl)hexa-3,5-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11475339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).