About trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane
trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane (PubChem CID 51349894) has the molecular formula C19H34Si2
and a molecular weight of 318.65 g/mol. Its IUPAC name is trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane.
Molecular Properties
| Compound Name | trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane |
| PubChem CID | 51349894 |
| Molecular Formula | C19H34Si2 |
| Molecular Weight | 318.65 g/mol |
| Exact Mass | 318.22 |
| IUPAC Name | trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane |
| SMILES | CC(=C=C[Si](C)(C)C)C1CCC(C)C(=C=C[Si](C)(C)C)C1 |
| InChI | InChI=1S/C19H34Si2/c1-16-9-10-18(17(2)11-13-20(3,4)5)15-19(16)12-14-21(6,7)8/h13-14,16,18H,9-10,15H2,1-8H3 |
| InChIKey | PSGKRWKAHHMICT-UHFFFAOYSA-N |
| XLogP | 6.36 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 318.65 |
| LogP ≤ 5 | 6.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane?
The IUPAC name of trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane (CID 51349894) is trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane.
What is the SMILES notation for trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane?
The canonical SMILES for trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane is CC(=C=C[Si](C)(C)C)C1CCC(C)C(=C=C[Si](C)(C)C)C1.
What is the InChIKey of trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane?
The InChIKey is PSGKRWKAHHMICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34Si2/c1-16-9-10-18(17(2)11-13-20(3,4)5)15-19(16)12-14-21(6,7)8/h13-14,16,18H,9-10,15H2,1-8H3.
What are the key properties of trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane?
trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane has a molecular weight of 318.65 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-methyl-5-(4-trimethylsilylbuta-2,3-dien-2-yl)cyclohexylidene]ethenyl]silane is sourced from PubChem (CID 51349894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).