cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C124H207N21O5S2 — CID 158591109

About cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158591109) has the molecular formula C124H207N21O5S2 and a molecular weight of 2136.30 g/mol. Its IUPAC name is cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
• PubChem CID: 158591109
• Molecular Formula: C124H207N21O5S2
• Molecular Weight: 2136.30 g/mol
• Exact Mass: 2134.60
• IUPAC Name: cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
• SMILES: CC.CC(C)C(C)(C)O.CC(C)OC(C)(C)C.CC(C)OC1CCCC1.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1cnccn1.CC(C)c1cncs1.CC(C)c1cscn1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C
• InChI: InChI=1S/C9H12.2C8H14N2.C8H12N2.C8H11N.C8H16O.2C7H12N2.3C7H10N2.C7H11NO.C7H16O.C6H9NO.2C6H9NS.C6H14O.C2H6/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-9-7(3)4-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)9-8-5-3-4-6-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)8-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)7-4-6(3)9-8-7;1-6(2)8-7(3,4)5;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6(3,4)7;1-2/h3-8H,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*3-6H,1-2H3;4-5H,1-3H3;6H,1-5H3;3*3-5H,1-2H3;5,7H,1-4H3;1-2H3
• InChIKey: HULKYSPOHFGVBI-UHFFFAOYSA-N
• XLogP: 34.25
• TPSA: 314.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.30
LogP ≤ 5	34.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The IUPAC name of cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 158591109) is cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

What is the SMILES notation for cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The canonical SMILES for cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC.CC(C)C(C)(C)O.CC(C)OC(C)(C)C.CC(C)OC1CCCC1.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1cnccn1.CC(C)c1cncs1.CC(C)c1cscn1.Cc1cc(C(C)C)n[nH]1.Cc1cc(C(C)C)nn1C.Cc1cc(C(C)C)no1.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C.

What is the InChIKey of cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

The InChIKey is HULKYSPOHFGVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H14N2.C8H12N2.C8H11N.C8H16O.2C7H12N2.3C7H10N2.C7H11NO.C7H16O.C6H9NO.2C6H9NS.C6H14O.C2H6/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-5-9-7(3)4-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)9-8-5-3-4-6-8;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)8-9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-5(2)7-4-6(3)9-8-7;1-6(2)8-7(3,4)5;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6(3,4)7;1-2/h3-8H,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*3-6H,1-2H3;4-5H,1-3H3;6H,1-5H3;3*3-5H,1-2H3;5,7H,1-4H3;1-2H3.

What are the key properties of cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?

cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 2136.30 g/mol, XLogP of 34.25, 18 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;2,3-dimethylbutan-2-ol;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;ethane;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-2-propan-2-yloxypropane;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,2-oxazole;propan-2-yloxycyclopentane;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158591109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).