C216H304N32O2 — CID 161070494
2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;2-tert-butyl-4-ethenylpyrimidine;4-tert-butyl-2-ethenylpyrimidine;4-tert-butyl-6-ethenylpyrimidine;2-tert-butyl-6-ethynylpyridine;3-tert-butyl-2-ethynylpyridine;4-tert-butyl-2-ethynylpyridine;2-tert-butyl-4-ethynylpyrimidine;4-tert-butyl-2-ethynylpyrimidine;4-tert-butyl-6-ethynylpyrimidine;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;4-tert-butyl-5-methyl-2H-pyrrole (PubChem CID 161070494) has the molecular formula C216H304N32O2 and a molecular weight of 3381.03 g/mol. Its IUPAC name is 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;2-tert-butyl-4-ethenylpyrimidine;4-tert-butyl-2-ethenylpyrimidine;4-tert-butyl-6-ethenylpyrimidine;2-tert-butyl-6-ethynylpyridine;3-tert-butyl-2-ethynylpyridine;4-tert-butyl-2-ethynylpyridine;2-tert-butyl-4-ethynylpyrimidine;4-tert-butyl-2-ethynylpyrimidine;4-tert-butyl-6-ethynylpyrimidine;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;4-tert-butyl-5-methyl-2H-pyrrole.
| Compound Name | 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;2-tert-butyl-4-ethenylpyrimidine;4-tert-butyl-2-ethenylpyrimidine;4-tert-butyl-6-ethenylpyrimidine;2-tert-butyl-6-ethynylpyridine;3-tert-butyl-2-ethynylpyridine;4-tert-butyl-2-ethynylpyridine;2-tert-butyl-4-ethynylpyrimidine;4-tert-butyl-2-ethynylpyrimidine;4-tert-butyl-6-ethynylpyrimidine;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;4-tert-butyl-5-methyl-2H-pyrrole |
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| PubChem CID | 161070494 |
| Molecular Formula | C216H304N32O2 |
| Molecular Weight | 3381.03 g/mol |
| Exact Mass | 3378.47 |
| IUPAC Name | 2-tert-butyl-6-ethenylpyridine;3-tert-butyl-2-ethenylpyridine;4-tert-butyl-2-ethenylpyridine;2-tert-butyl-4-ethenylpyrimidine;4-tert-butyl-2-ethenylpyrimidine;4-tert-butyl-6-ethenylpyrimidine;2-tert-butyl-6-ethynylpyridine;3-tert-butyl-2-ethynylpyridine;4-tert-butyl-2-ethynylpyridine;2-tert-butyl-4-ethynylpyrimidine;4-tert-butyl-2-ethynylpyrimidine;4-tert-butyl-6-ethynylpyrimidine;2-tert-butyl-2H-furan-5-one;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;4-tert-butyl-6-methylpyrimidine;4-tert-butyl-5-methyl-2H-pyrrole |
| SMILES | C#Cc1cc(C(C)(C)C)ccn1.C#Cc1cc(C(C)(C)C)ncn1.C#Cc1cccc(C(C)(C)C)n1.C#Cc1ccnc(C(C)(C)C)n1.C#Cc1nccc(C(C)(C)C)n1.C#Cc1ncccc1C(C)(C)C.C=Cc1cc(C(C)(C)C)ccn1.C=Cc1cc(C(C)(C)C)ncn1.C=Cc1cccc(C(C)(C)C)n1.C=Cc1ccnc(C(C)(C)C)n1.C=Cc1nccc(C(C)(C)C)n1.C=Cc1ncccc1C(C)(C)C.CC(C)(C)C1C=CC(=O)O1.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)ncn1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)[nH]1.Cc1nccc(C(C)(C)C)n1.Cc1ncccc1C(C)(C)C |
| InChI | InChI=1S/C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.C10H14N2.C10H12N2.C10H14N2.C10H12N2.C10H14N2.C10H12N2.3C10H15N.3C9H14N2.C9H15N.2C8H14N2.C8H12O2/c2*1-5-10-8-9(6-7-12-10)11(2,3)4;2*1-5-10-9(11(2,3)4)7-6-8-12-10;2*1-5-9-7-6-8-10(12-9)11(2,3)4;2*1-5-8-6-9(10(2,3)4)12-7-11-8;2*1-5-9-11-7-6-8(12-9)10(2,3)4;2*1-5-8-6-7-11-9(12-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-9(11-8)10(2,3)4;1-7-5-8(9(2,3)4)11-6-10-7;1-7-10-6-5-8(11-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-8(2,3)6-4-5-7(9)10-6/h5-8H,1H2,2-4H3;1,6-8H,2-4H3;5-8H,1H2,2-4H3;1,6-8H,2-4H3;5-8H,1H2,2-4H3;1,6-8H,2-4H3;5-7H,1H2,2-4H3;1,6-7H,2-4H3;5-7H,1H2,2-4H3;1,6-7H,2-4H3;5-7H,1H2,2-4H3;1,6-7H,2-4H3;3*5-7H,1-4H3;3*5-6H,1-4H3;5H,6H2,1-4H3;2*5H,1-4H3,(H,9,10);4-6H,1-3H3 |
| InChIKey | UEOYCKQXHYGMBK-UHFFFAOYSA-N |
| XLogP | 50.95 |
| TPSA | 444.05 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 250 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3381.03 |
| LogP ≤ 5 | 50.95 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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