2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole

C92H133N13O3S4 — CID 159184827

About 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole

2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole (PubChem CID 159184827) has the molecular formula C92H133N13O3S4 and a molecular weight of 1597.43 g/mol. Its IUPAC name is 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole.

Molecular Properties

• Compound Name: 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole
• PubChem CID: 159184827
• Molecular Formula: C92H133N13O3S4
• Molecular Weight: 1597.43 g/mol
• Exact Mass: 1595.95
• IUPAC Name: 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole
• SMILES: C#Cc1[nH]ncc1C(C)(C)C.C#Cc1nc(C(C)(C)C)cn1C.C#Cc1ncc(C(C)(C)C)[nH]1.C=Cc1cc(C(C)(C)C)on1.C=Cc1cc(C(C)(C)C)sn1.C=Cc1nc(C(C)(C)C)cn1C.C=Cc1nc(C(C)(C)C)cs1.C=Cc1ncc(C(C)(C)C)s1.C=Cc1nscc1C(C)(C)C.CC(C)(C)C1CC=CC(=O)O1
• InChI: InChI=1S/C10H16N2.C10H14N2.2C9H12N2.C9H13NO.4C9H13NS.C9H14O2/c2*1-6-9-11-8(7-12(9)5)10(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-10-11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7/h6-7H,1H2,2-5H3;1,7H,2-5H3;2*1,6H,2-4H3,(H,10,11);5*5-6H,1H2,2-4H3;4,6-7H,5H2,1-3H3
• InChIKey: KNIVRFUCYBRTNZ-UHFFFAOYSA-N
• XLogP: 24.29
• TPSA: 196.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1597.43
LogP ≤ 5	24.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole?

The IUPAC name of 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole (CID 159184827) is 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole.

What is the SMILES notation for 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole?

The canonical SMILES for 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole is C#Cc1[nH]ncc1C(C)(C)C.C#Cc1nc(C(C)(C)C)cn1C.C#Cc1ncc(C(C)(C)C)[nH]1.C=Cc1cc(C(C)(C)C)on1.C=Cc1cc(C(C)(C)C)sn1.C=Cc1nc(C(C)(C)C)cn1C.C=Cc1nc(C(C)(C)C)cs1.C=Cc1ncc(C(C)(C)C)s1.C=Cc1nscc1C(C)(C)C.CC(C)(C)C1CC=CC(=O)O1.

What is the InChIKey of 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole?

The InChIKey is KNIVRFUCYBRTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C10H14N2.2C9H12N2.C9H13NO.4C9H13NS.C9H14O2/c2*1-6-9-11-8(7-12(9)5)10(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-10-11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-5-8-10-7(6-11-8)9(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-8-7(6-11-10-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7/h6-7H,1H2,2-5H3;1,7H,2-5H3;2*1,6H,2-4H3,(H,10,11);5*5-6H,1H2,2-4H3;4,6-7H,5H2,1-3H3.

What are the key properties of 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole?

2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole has a molecular weight of 1597.43 g/mol, XLogP of 24.29, 6 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-2,3-dihydropyran-6-one;4-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-5-ethynyl-1H-pyrazole is sourced from PubChem (CID 159184827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).