About tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane (PubChem CID 139968512) has the molecular formula C23H40O3Si
and a molecular weight of 392.66 g/mol. Its IUPAC name is tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane.
Molecular Properties
| Compound Name | tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane |
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| PubChem CID | 139968512 |
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| Molecular Formula | C23H40O3Si |
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| Molecular Weight | 392.66 g/mol |
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| Exact Mass | 392.27 |
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| IUPAC Name | tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane |
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| SMILES | COCOCC/C(C)=C1/CCC2=C(CO[Si](C)(C)C(C)(C)C)C=CCC21C |
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| InChI | InChI=1S/C23H40O3Si/c1-18(13-15-25-17-24-6)20-11-12-21-19(10-9-14-23(20,21)5)16-26-27(7,8)22(2,3)4/h9-10H,11-17H2,1-8H3/b20-18- |
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| InChIKey | GJWWACHKLURWCY-ZZEZOPTASA-N |
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| XLogP | 6.39 |
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| TPSA | 27.69 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 392.66 |
| LogP ≤ 5 | 6.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane (CID 139968512) is tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane is COCOCC/C(C)=C1/CCC2=C(CO[Si](C)(C)C(C)(C)C)C=CCC21C.
What is the InChIKey of tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
The InChIKey is GJWWACHKLURWCY-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H40O3Si/c1-18(13-15-25-17-24-6)20-11-12-21-19(10-9-14-23(20,21)5)16-26-27(7,8)22(2,3)4/h9-10H,11-17H2,1-8H3/b20-18-.
What are the key properties of tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane has a molecular weight of 392.66 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 139968512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).