cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene

C98H195N5O4S2Se — CID 159305787

About cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene

cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene (PubChem CID 159305787) has the molecular formula C98H195N5O4S2Se and a molecular weight of 1650.76 g/mol. Its IUPAC name is cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene
• PubChem CID: 159305787
• Molecular Formula: C98H195N5O4S2Se
• Molecular Weight: 1650.76 g/mol
• Exact Mass: 1650.38
• IUPAC Name: cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)NC(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)S(C)(=O)=O.CC(C)c1ccc[se]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cncnc1.CCC
• InChI: InChI=1S/C9H12.2C8H11N.C7H10N2.C7H10O.C7H10S.C7H10Se.C5H11NO.C5H12.C4H10O2S.2C4H10.C3H8.10C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;3*1-6(2)7-4-3-5-8-7;1-4(2)6-5(3)7;1-5(2,3)4;1-4(2)7(3,5)6;2*1-4(2)3;1-3-2;10*1-2/h3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;3*3-6H,1-2H3;4H,1-3H3,(H,6,7);1-4H3;4H,1-3H3;2*4H,1-3H3;3H2,1-2H3;10*1-2H3
• InChIKey: LBXAYGIMXVUFFQ-UHFFFAOYSA-N
• XLogP: 33.99
• TPSA: 127.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1650.76
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene?

The IUPAC name of cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene (CID 159305787) is cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene.

What is the SMILES notation for cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene?

The canonical SMILES for cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)NC(C)C.CC(C)(C)C.CC(C)C.CC(C)C.CC(C)S(C)(=O)=O.CC(C)c1ccc[se]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cncnc1.CCC.

What is the InChIKey of cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene?

The InChIKey is LBXAYGIMXVUFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H11N.C7H10N2.C7H10O.C7H10S.C7H10Se.C5H11NO.C5H12.C4H10O2S.2C4H10.C3H8.10C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;3*1-6(2)7-4-3-5-8-7;1-4(2)6-5(3)7;1-5(2,3)4;1-4(2)7(3,5)6;2*1-4(2)3;1-3-2;10*1-2/h3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3;3*3-6H,1-2H3;4H,1-3H3,(H,6,7);1-4H3;4H,1-3H3;2*4H,1-3H3;3H2,1-2H3;10*1-2H3.

What are the key properties of cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene?

cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene has a molecular weight of 1650.76 g/mol, XLogP of 33.99, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;2,2-dimethylpropane;ethane;bis(2-methylpropane);2-methylsulfonylpropane;propane;N-propan-2-ylacetamide;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-ylselenophene;2-propan-2-ylthiophene is sourced from PubChem (CID 159305787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).