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

C28H44Si4 — CID 15363827

IUPAC[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-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/C28H44Si4/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/h13-16H2,1-12H3
InChIKeyQXEIDYDSASHLFU-UHFFFAOYSA-N
MW493.00 g/mol
LogP7.68
Rot. Bonds

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

[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (PubChem CID 15363827) has the molecular formula C28H44Si4 and a molecular weight of 493.00 g/mol. Its IUPAC name is [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
PubChem CID15363827
Molecular FormulaC28H44Si4
Molecular Weight493.00 g/mol
Exact Mass492.25
IUPAC Name[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-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/C28H44Si4/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/h13-16H2,1-12H3
InChIKeyQXEIDYDSASHLFU-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.00
LogP ≤ 57.68
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'}

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Related Compounds

trimethyl-[(2E,6E)-2,3,6,7-tetramethyl-8-trimethylsilylocta-2,6-dienyl]silane
CID 23630571
Trimethyl-[3-(2-trimethylsilylethynyl)tridec-3-en-1-ynyl]silane
CID 85843910
[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
trimethyl-[(E)-3-propyl-4-trimethylsilyloct-3-en-1-ynyl]silane
CID 134963826
Triethyl-[6-(2-trimethylsilylcyclopropen-1-yl)hexa-1,3-diynyl]silane
CID 134997996
[3,9-Di(cyclohexylidene)-6-propan-2-ylidene-11-trimethylsilylundeca-1,4,7,10-tetraynyl]-trimethylsilane
CID 135046217
Triethyl-[5-(2-trimethylsilylcyclopropen-1-yl)pent-1-ynyl]silane
CID 164665543
(3-Cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
CID 10589926
trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane
CID 15266021
Trimethyl-(2,3,5,6-tetramethyl-4-trimethylsilylcyclohexa-2,5-dien-1-yl)silane
CID 140048006
[(Z)-3-butyl-4-ethyldec-3-en-1,5-diynyl]-trimethylsilane
CID 10017015
(3-Cyclohexylidene-5-trimethylsilylpenta-1,4-diynyl)-trimethylsilane
CID 10684806

Frequently Asked Questions

What is the IUPAC name of [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The IUPAC name of [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane (CID 15363827) is [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane.
What is the SMILES notation for [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The canonical SMILES for [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-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]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
The InChIKey is QXEIDYDSASHLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44Si4/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/h13-16H2,1-12H3.
What are the key properties of [3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane?
[3-[4-[1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane has a molecular weight of 493.00 g/mol, XLogP of 7.68, 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]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane is sourced from PubChem (CID 15363827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).