About [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane
[(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane (PubChem CID 15441002) has the molecular formula C18H36OSi
and a molecular weight of 296.57 g/mol. Its IUPAC name is [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane.
Molecular Properties
| Compound Name | [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane |
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| PubChem CID | 15441002 |
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| Molecular Formula | C18H36OSi |
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| Molecular Weight | 296.57 g/mol |
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| Exact Mass | 296.25 |
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| IUPAC Name | [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane |
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| SMILES | CC[Si](CC)(CC)OC(C)(C)/C=C\C(=C(C)C)C(C)C |
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| InChI | InChI=1S/C18H36OSi/c1-10-20(11-2,12-3)19-18(8,9)14-13-17(15(4)5)16(6)7/h13-15H,10-12H2,1-9H3/b14-13- |
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| InChIKey | BLZVDDXKLKWEGQ-YPKPFQOOSA-N |
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| XLogP | 6.34 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 20 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 296.57 |
| LogP ≤ 5 | 6.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane?
The IUPAC name of [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane (CID 15441002) is [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane?
The canonical SMILES for [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC(C)(C)/C=C\C(=C(C)C)C(C)C.
What is the InChIKey of [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane?
The InChIKey is BLZVDDXKLKWEGQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H36OSi/c1-10-20(11-2,12-3)19-18(8,9)14-13-17(15(4)5)16(6)7/h13-15H,10-12H2,1-9H3/b14-13-.
What are the key properties of [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane?
[(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane has a molecular weight of 296.57 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2,6-dimethyl-5-propan-2-ylhepta-3,5-dien-2-yl]oxy-triethylsilane is sourced from PubChem (CID 15441002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).