2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole

C84H119N11O2S4 — CID 158224019

About 2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole

2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole (PubChem CID 158224019) has the molecular formula C84H119N11O2S4 and a molecular weight of 1443.22 g/mol. Its IUPAC name is 2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole.

Molecular Properties

• Compound Name: 2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole
• PubChem CID: 158224019
• Molecular Formula: C84H119N11O2S4
• Molecular Weight: 1443.22 g/mol
• Exact Mass: 1441.84
• IUPAC Name: 2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole
• SMILES: C#CC1=NCC=C1C(C)(C)C.C#Cc1cc(C(C)(C)C)n(C)n1.C#Cc1nc(C(C)(C)C)cn1C.C#Cc1ncc(C(C)(C)C)[nH]1.C=Cc1cc(C(C)(C)C)sn1.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/2C10H14N2.C10H13N.C9H12N2.4C9H13NS.C9H14O2/c1-6-9-11-8(7-12(9)5)10(2,3)4;1-6-8-7-9(10(2,3)4)12(5)11-8;1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-10-6-7(11-8)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/h2*1,7H,2-5H3;1,6H,7H2,2-4H3;1,6H,2-4H3,(H,10,11);4*5-6H,1H2,2-4H3;4,6-7H,5H2,1-3H3
• InChIKey: GDOUZLISTQXNLK-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 154.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.22
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

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-1,3-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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole?

The IUPAC name of 2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole (CID 158224019) is 2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole.

What is the SMILES notation for 2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole?

The canonical SMILES for 2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole is C#CC1=NCC=C1C(C)(C)C.C#Cc1cc(C(C)(C)C)n(C)n1.C#Cc1nc(C(C)(C)C)cn1C.C#Cc1ncc(C(C)(C)C)[nH]1.C=Cc1cc(C(C)(C)C)sn1.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-1,3-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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole?

The InChIKey is GDOUZLISTQXNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2.C10H13N.C9H12N2.4C9H13NS.C9H14O2/c1-6-9-11-8(7-12(9)5)10(2,3)4;1-6-8-7-9(10(2,3)4)12(5)11-8;1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-10-6-7(11-8)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/h2*1,7H,2-5H3;1,6H,7H2,2-4H3;1,6H,2-4H3,(H,10,11);4*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-1,3-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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole?

2-tert-butyl-2,3-dihydropyran-6-one;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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole has a molecular weight of 1443.22 g/mol, XLogP of 21.37, 4 rotatable bonds, 1 hydrogen bond donors, and 16 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-1,3-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;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-5-ethynyl-2H-pyrrole is sourced from PubChem (CID 158224019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).