About [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane
[(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane (PubChem CID 132539741) has the molecular formula C25H40OSi
and a molecular weight of 384.68 g/mol. Its IUPAC name is [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane.
Molecular Properties
| Compound Name | [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane |
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| PubChem CID | 132539741 |
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| Molecular Formula | C25H40OSi |
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| Molecular Weight | 384.68 g/mol |
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| Exact Mass | 384.28 |
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| IUPAC Name | [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane |
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| SMILES | C=C1/C(=C/[Si](C(C)C)(C(C)C)C(C)C)Oc2ccc(C)cc2C1C(C)(C)C |
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| InChI | InChI=1S/C25H40OSi/c1-16(2)27(17(3)4,18(5)6)15-23-20(8)24(25(9,10)11)21-14-19(7)12-13-22(21)26-23/h12-18,24H,8H2,1-7,9-11H3/b23-15- |
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| InChIKey | IWOTWCIZGSKURW-HAHDFKILSA-N |
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| XLogP | 8.18 |
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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 | 4 |
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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 | 384.68 |
| LogP ≤ 5 | 8.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane (CID 132539741) is [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane is C=C1/C(=C/[Si](C(C)C)(C(C)C)C(C)C)Oc2ccc(C)cc2C1C(C)(C)C.
What is the InChIKey of [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane?
The InChIKey is IWOTWCIZGSKURW-HAHDFKILSA-N. The full InChI is InChI=1S/C25H40OSi/c1-16(2)27(17(3)4,18(5)6)15-23-20(8)24(25(9,10)11)21-14-19(7)12-13-22(21)26-23/h12-18,24H,8H2,1-7,9-11H3/b23-15-.
What are the key properties of [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane?
[(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane has a molecular weight of 384.68 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-tert-butyl-6-methyl-3-methylidene-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 132539741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).