About [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
[3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 14935769) has the molecular formula C37H64Si3
and a molecular weight of 593.18 g/mol. Its IUPAC name is [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane |
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| PubChem CID | 14935769 |
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| Molecular Formula | C37H64Si3 |
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| Molecular Weight | 593.18 g/mol |
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| Exact Mass | 592.43 |
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| IUPAC Name | [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane |
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| SMILES | C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C |
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| InChI | InChI=1S/C37H64Si3/c1-20-36(21-24-38(27(2)3,28(4)5)29(6)7)37(22-25-39(30(8)9,31(10)11)32(12)13)23-26-40(33(14)15,34(16)17)35(18)19/h1,27-35H,2-19H3 |
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| InChIKey | NFPHHILIHCJTPA-UHFFFAOYSA-N |
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| XLogP | 11.58 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 593.18 |
| LogP ≤ 5 | 11.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Analyze [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane with MolForge
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Frequently Asked Questions
What is the IUPAC name of [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 14935769) is [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is NFPHHILIHCJTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H64Si3/c1-20-36(21-24-38(27(2)3,28(4)5)29(6)7)37(22-25-39(30(8)9,31(10)11)32(12)13)23-26-40(33(14)15,34(16)17)35(18)19/h1,27-35H,2-19H3.
What are the key properties of [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 593.18 g/mol, XLogP of 11.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethynyl-6-tri(propan-2-yl)silyl-4-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 14935769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).