About [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane
[(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 135080614) has the molecular formula C16H30Si
and a molecular weight of 250.50 g/mol. Its IUPAC name is [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane |
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| PubChem CID | 135080614 |
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| Molecular Formula | C16H30Si |
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| Molecular Weight | 250.50 g/mol |
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| Exact Mass | 250.21 |
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| IUPAC Name | [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane |
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| SMILES | CC/C=C\CC#C[Si](C(C)C)(C(C)C)C(C)C |
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| InChI | InChI=1S/C16H30Si/c1-8-9-10-11-12-13-17(14(2)3,15(4)5)16(6)7/h9-10,14-16H,8,11H2,1-7H3/b10-9- |
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| InChIKey | KUNFIHYOIXSNFS-KTKRTIGZSA-N |
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| XLogP | 5.56 |
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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 | 5 |
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| Heavy Atoms | 17 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 250.50 |
| LogP ≤ 5 | 5.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane (CID 135080614) is [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane is CC/C=C\CC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is KUNFIHYOIXSNFS-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H30Si/c1-8-9-10-11-12-13-17(14(2)3,15(4)5)16(6)7/h9-10,14-16H,8,11H2,1-7H3/b10-9-.
What are the key properties of [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane?
[(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 250.50 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 135080614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).