About cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 158979264) has the molecular formula C95H179N9O3
and a molecular weight of 1495.54 g/mol. Its IUPAC name is cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
Molecular Properties
| Compound Name | cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine |
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| PubChem CID | 158979264 |
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| Molecular Formula | C95H179N9O3 |
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| Molecular Weight | 1495.54 g/mol |
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| Exact Mass | 1494.41 |
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| IUPAC Name | cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine |
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| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCO1.CC(C)C1CCOC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1 |
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| InChI | InChI=1S/C9H12.3C8H11N.3C7H12N2.C7H14O.C7H10O.C7H14O.10C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;10*1-2/h3-8H,1-2H3;3*3-7H,1-2H3;3*4-6H,1-3H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;10*1-2H3 |
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| InChIKey | JOUBHGLYEOCLLZ-UHFFFAOYSA-N |
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| XLogP | 30.22 |
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| TPSA | 123.73 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 107 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1495.54 |
| LogP ≤ 5 | 30.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Analyze cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 158979264) is cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCO1.CC(C)C1CCOC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1.
What is the InChIKey of cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is JOUBHGLYEOCLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.3C7H12N2.C7H14O.C7H10O.C7H14O.10C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;10*1-2/h3-8H,1-2H3;3*3-7H,1-2H3;3*4-6H,1-3H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;10*1-2H3.
What are the key properties of cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 1495.54 g/mol, XLogP of 30.22, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;2-propan-2-yloxolane;3-propan-2-yloxolane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 158979264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).