cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C203H331N25O8S3 — CID 162181482

About cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 162181482) has the molecular formula C203H331N25O8S3 and a molecular weight of 3346.25 g/mol. Its IUPAC name is cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• PubChem CID: 162181482
• Molecular Formula: C203H331N25O8S3
• Molecular Weight: 3346.25 g/mol
• Exact Mass: 3343.54
• IUPAC Name: cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• SMILES: CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCO1.CC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)Oc1ccccc1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1cccn1
• InChI: InChI=1S/C13H14.C9H12O.C9H12.C8H17N.3C8H11N.C8H16O.C8H16.3C7H10N2.2C7H15NO.C7H15N.C7H14O.C7H10O.C7H10S.C7H14.4C6H10N2.2C6H9NO.2C6H9NS.C6H12/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-9-6-4-3-5-7-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;2*1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-6/h3-10H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;7-9H,3-6H2,1-2H3;3*3-7H,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3*3-6H,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5-6H,3-4H2,1-2H3
• InChIKey: ZPBUUDCUUIMBFD-UHFFFAOYSA-N
• XLogP: 55.77
• TPSA: 376.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3346.25
LogP ≤ 5	55.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The IUPAC name of cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 162181482) is cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

What is the SMILES notation for cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The canonical SMILES for cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCO1.CC(C)C1CCNCC1.CC(C)C1CCOCC1.CC(C)C1COCCN1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CC(C)Oc1ccccc1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1cccn1.

What is the InChIKey of cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The InChIKey is ZPBUUDCUUIMBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C9H12O.C9H12.C8H17N.3C8H11N.C8H16O.C8H16.3C7H10N2.2C7H15NO.C7H15N.C7H14O.C7H10O.C7H10S.C7H14.4C6H10N2.2C6H9NO.2C6H9NS.C6H12/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-9-6-4-3-5-7-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-9-4-3-8-7;1-7(2)8-5-3-4-6-8;3*1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-6;2*1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-6/h3-10H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;7-9H,3-6H2,1-2H3;3*3-7H,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3*3-6H,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5-6H,3-4H2,1-2H3.

What are the key properties of cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 3346.25 g/mol, XLogP of 55.77, 29 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 162181482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).