trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane

C28H44Si4 — CID 15266021

IUPACtrimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C/C1=C(\C#C[Si](C)(C)C)CC/C(C#C[Si](C)(C)C)=C(/C#C[Si](C)(C)C)CC1
InChIInChI=1S/C28H44Si4/c1-29(2,3)21-17-25-13-14-27(19-23-31(7,8)9)28(20-24-32(10,11)12)16-15-26(25)18-22-30(4,5)6/h13-16H2,1-12H3/b26-25-,28-27-
InChIKeyMPYNLJJLVCUOFS-FNBANUKLSA-N
MW493.00 g/mol
LogP7.68
Rot. Bonds

About trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane

trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane (PubChem CID 15266021) has the molecular formula C28H44Si4 and a molecular weight of 493.00 g/mol. Its IUPAC name is trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane
PubChem CID15266021
Molecular FormulaC28H44Si4
Molecular Weight493.00 g/mol
Exact Mass492.25
IUPAC Nametrimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C/C1=C(\C#C[Si](C)(C)C)CC/C(C#C[Si](C)(C)C)=C(/C#C[Si](C)(C)C)CC1
InChIInChI=1S/C28H44Si4/c1-29(2,3)21-17-25-13-14-27(19-23-31(7,8)9)28(20-24-32(10,11)12)16-15-26(25)18-22-30(4,5)6/h13-16H2,1-12H3/b26-25-,28-27-
InChIKeyMPYNLJJLVCUOFS-FNBANUKLSA-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'}

Analyze trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane 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

[3-[4-[1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 15363827
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
Trimethyl-(2-prop-1-ynylcyclopenten-1-yl)silane
CID 91164749
[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
[(Z)-3-butyl-4-ethyldec-3-en-1,5-diynyl]-trimethylsilane
CID 10017015
(3-Cyclohexylidene-5-trimethylsilylpenta-1,4-diynyl)-trimethylsilane
CID 10684806
Trimethyl-[2-[2-(2-trimethylsilylethynyl)cyclopenten-1-yl]ethynyl]silane
CID 14942369

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane (CID 15266021) is trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane is C[Si](C)(C)C#C/C1=C(\C#C[Si](C)(C)C)CC/C(C#C[Si](C)(C)C)=C(/C#C[Si](C)(C)C)CC1.
What is the InChIKey of trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane?
The InChIKey is MPYNLJJLVCUOFS-FNBANUKLSA-N. The full InChI is InChI=1S/C28H44Si4/c1-29(2,3)21-17-25-13-14-27(19-23-31(7,8)9)28(20-24-32(10,11)12)16-15-26(25)18-22-30(4,5)6/h13-16H2,1-12H3/b26-25-,28-27-.
What are the key properties of trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane?
trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane 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 trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane is sourced from PubChem (CID 15266021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).