2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine

C93H135N9O5S — CID 158250803

About 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine

2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine (PubChem CID 158250803) has the molecular formula C93H135N9O5S and a molecular weight of 1491.23 g/mol. Its IUPAC name is 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine
• PubChem CID: 158250803
• Molecular Formula: C93H135N9O5S
• Molecular Weight: 1491.23 g/mol
• Exact Mass: 1490.03
• IUPAC Name: 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine
• SMILES: Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)nn1.Cc1cc(C)c(C)o1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nn1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1coc(C(C)(C)C)c1.Cc1coc(C)c1.Cc1csc(C(C)(C)C)c1
• InChI: InChI=1S/C10H15N.C9H14N2.2C9H14O.C9H14S.C8H11N.C7H10N2.C7H9N.C7H10O.C6H8N2.2C6H8O/c1-8-5-6-9(11-7-8)10(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-7-5-8(10-6-7)9(2,3)4;1-6-4-8(3)9-5-7(6)2;1-5-4-6(2)8-9-7(5)3;1-6-3-4-7(2)8-5-6;1-5-4-6(2)8-7(5)3;1-5-3-4-6(2)8-7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h5-7H,1-4H3;5-6H,1-4H3;3*5-6H,1-4H3;4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3;2*3-4H,1-2H3
• InChIKey: GGRPNDKVWNXFLP-UHFFFAOYSA-N
• XLogP: 26.09
• TPSA: 181.71 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.23
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine?

The IUPAC name of 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine (CID 158250803) is 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine.

What is the SMILES notation for 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine?

The canonical SMILES for 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine is Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)nn1.Cc1cc(C)c(C)o1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nn1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)o1.Cc1coc(C(C)(C)C)c1.Cc1coc(C)c1.Cc1csc(C(C)(C)C)c1.

What is the InChIKey of 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine?

The InChIKey is GGRPNDKVWNXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H14N2.2C9H14O.C9H14S.C8H11N.C7H10N2.C7H9N.C7H10O.C6H8N2.2C6H8O/c1-8-5-6-9(11-7-8)10(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-7-5-8(10-6-7)9(2,3)4;1-6-4-8(3)9-5-7(6)2;1-5-4-6(2)8-9-7(5)3;1-6-3-4-7(2)8-5-6;1-5-4-6(2)8-7(5)3;1-5-3-4-6(2)8-7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h5-7H,1-4H3;5-6H,1-4H3;3*5-6H,1-4H3;4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3;2*3-4H,1-2H3.

What are the key properties of 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine?

2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine has a molecular weight of 1491.23 g/mol, XLogP of 26.09, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine is sourced from PubChem (CID 158250803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).