[3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane

C36H54Si6 — CID 15194666

IUPAC[3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C1C(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C1=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C36H54Si6/c1-37(2,3)25-19-31(20-26-38(4,5)6)34-35(32(21-27-39(7,8)9)22-28-40(10,11)12)36(34)33(23-29-41(13,14)15)24-30-42(16,17)18/h1-18H3
InChIKeyNGAMWPXHDJMGOR-UHFFFAOYSA-N
MW655.34 g/mol
LogP9.17
Rot. Bonds

About [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane

[3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (PubChem CID 15194666) has the molecular formula C36H54Si6 and a molecular weight of 655.34 g/mol. Its IUPAC name is [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
PubChem CID15194666
Molecular FormulaC36H54Si6
Molecular Weight655.34 g/mol
Exact Mass654.28
IUPAC Name[3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C1C(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C1=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C36H54Si6/c1-37(2,3)25-19-31(20-26-38(4,5)6)34-35(32(21-27-39(7,8)9)22-28-40(10,11)12)36(34)33(23-29-41(13,14)15)24-30-42(16,17)18/h1-18H3
InChIKeyNGAMWPXHDJMGOR-UHFFFAOYSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.34
LogP ≤ 59.17
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-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trimethyl-[2-[2,3,4-tris(trimethylsilyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane
CID 13573337
Trimethyl-[3-trimethylsilyl-2,4-bis(2-trimethylsilylethynyl)cyclobuta-1,3-dien-1-yl]silane
CID 15912758
Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
CID 154721354
4-[3,4-Diethynyl-2-[4-tri(propan-2-yl)silylbuta-1,3-diynyl]cyclobuta-1,3-dien-1-yl]buta-1,3-diynyl-tri(propan-2-yl)silane
CID 12011032

Frequently Asked Questions

What is the IUPAC name of [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The IUPAC name of [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (CID 15194666) is [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.
What is the SMILES notation for [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The canonical SMILES for [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is C[Si](C)(C)C#CC(C#C[Si](C)(C)C)=C1C(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)C1=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C.
What is the InChIKey of [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The InChIKey is NGAMWPXHDJMGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54Si6/c1-37(2,3)25-19-31(20-26-38(4,5)6)34-35(32(21-27-39(7,8)9)22-28-40(10,11)12)36(34)33(23-29-41(13,14)15)24-30-42(16,17)18/h1-18H3.
What are the key properties of [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
[3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane has a molecular weight of 655.34 g/mol, XLogP of 9.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,3-bis[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclopropylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is sourced from PubChem (CID 15194666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).