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

C28H40Si4 — CID 15363836

IUPAC[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)=c1ccc(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)cc1
InChIInChI=1S/C28H40Si4/c1-29(2,3)21-17-27(18-22-30(4,5)6)25-13-15-26(16-14-25)28(19-23-31(7,8)9)20-24-32(10,11)12/h13-16H,1-12H3
InChIKeyFRGQGVWAZFHYIH-UHFFFAOYSA-N
MW488.97 g/mol
LogP5.51
Rot. Bonds

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

[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (PubChem CID 15363836) has the molecular formula C28H40Si4 and a molecular weight of 488.97 g/mol. Its IUPAC name is [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
PubChem CID15363836
Molecular FormulaC28H40Si4
Molecular Weight488.97 g/mol
Exact Mass488.22
IUPAC Name[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(C#C[Si](C)(C)C)=c1ccc(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)cc1
InChIInChI=1S/C28H40Si4/c1-29(2,3)21-17-27(18-22-30(4,5)6)25-13-15-26(16-14-25)28(19-23-31(7,8)9)20-24-32(10,11)12/h13-16H,1-12H3
InChIKeyFRGQGVWAZFHYIH-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.97
LogP ≤ 55.51
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-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane with MolForge

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Related Compounds

[3-(4,4-Dimethylcyclohexa-2,5-dien-1-ylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 11833948
trimethyl-[4-methyl-3-[(E)-2-trimethylsilylethenyl]pent-3-en-1-ynyl]silane
CID 14175474
[(4E,6E)-5,6-dimethyl-7-trimethylsilyldeca-1,4,6,9-tetraen-4-yl]-trimethylsilane
CID 11781753
Trimethyl-[5-methyl-3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
CID 154721354
Trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
CID 154721469
2-Cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane
CID 10969100
Trilithium;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane;trimethyl(2-phenylethynyl)silane
CID 158904299
2-Methylprop-1-enyl-[1,4,5-tris(2-methylprop-1-enylsilyl)cyclohexa-2,4-dien-1-yl]silane
CID 160467522
2-Cyclohexa-1,5-dien-1-ylethynyl(trimethyl)silane
CID 173098446
trimethyl-[(4Z)-5-methyl-3-methylidenehepta-4,6-dien-1-ynyl]silane
CID 173466997
trimethyl-[(3E,5Z)-3-methylocta-3,5-dien-1-ynyl]silane
CID 173551754
[(3E,5Z)-3-ethylhepta-3,5-dien-1-ynyl]-trimethylsilane
CID 173553199

Frequently Asked Questions

What is the IUPAC name of [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The IUPAC name of [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (CID 15363836) is [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.
What is the SMILES notation for [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The canonical SMILES for [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is C[Si](C)(C)C#CC(C#C[Si](C)(C)C)=c1ccc(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)cc1.
What is the InChIKey of [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The InChIKey is FRGQGVWAZFHYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40Si4/c1-29(2,3)21-17-27(18-22-30(4,5)6)25-13-15-26(16-14-25)28(19-23-31(7,8)9)20-24-32(10,11)12/h13-16H,1-12H3.
What are the key properties of [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane has a molecular weight of 488.97 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexa-2,5-dien-1-ylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is sourced from PubChem (CID 15363836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).