About [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 14937102) has the molecular formula C28H44Si2
and a molecular weight of 436.83 g/mol. Its IUPAC name is [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane |
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| PubChem CID | 14937102 |
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| Molecular Formula | C28H44Si2 |
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| Molecular Weight | 436.83 g/mol |
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| Exact Mass | 436.30 |
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| IUPAC Name | [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane |
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| SMILES | C#C/C(C#C[Si](C(C)C)(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/C28H44Si2/c1-15-27(17-19-29(21(3)4,22(5)6)23(7)8)28(16-2)18-20-30(24(9)10,25(11)12)26(13)14/h1-2,21-26H,3-14H3/b28-27- |
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| InChIKey | REYVQTKHVBATQK-DQSJHHFOSA-N |
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| XLogP | 7.99 |
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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 | 6 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 436.83 |
| LogP ≤ 5 | 7.99 |
| 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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Frequently Asked Questions
What is the IUPAC name of [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 14937102) is [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is C#C/C(C#C[Si](C(C)C)(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 [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is REYVQTKHVBATQK-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H44Si2/c1-15-27(17-19-29(21(3)4,22(5)6)23(7)8)28(16-2)18-20-30(24(9)10,25(11)12)26(13)14/h1-2,21-26H,3-14H3/b28-27-.
What are the key properties of [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 436.83 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 14937102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).