cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C243H385N31O9S7 — CID 162073160

About cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 162073160) has the molecular formula C243H385N31O9S7 and a molecular weight of 4109.43 g/mol. Its IUPAC name is cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• PubChem CID: 162073160
• Molecular Formula: C243H385N31O9S7
• Molecular Weight: 4109.43 g/mol
• Exact Mass: 4105.87
• IUPAC Name: cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C(C)C.CC(C)C1CC1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2ccncc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2s1.CC(C)c1cc2cncnc2o1.CC(C)c1cc2cnncc2s1.CC(C)c1cc2ncccc2o1.CC(C)c1cc2ncncc2o1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cnccn1.CC(C)c1cncs1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2cnncc2o1.CC(C)c1nc2cnncc2s1
• InChI: InChI=1S/5C10H11NO.C10H11NS.2C9H10N2O.2C9H10N2S.C9H12.2C8H9N3O.C8H9N3S.3C8H11N.2C7H10N2.2C7H10S.C6H9NS.C6H12.C6H14.22C2H6/c2*1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)10-6-8-9(12-10)4-3-5-11-8;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-6(2)8-3-7-9(12-8)4-10-5-11-7;1-6(2)8-3-7-4-10-5-11-9(7)12-8;1-6(2)8-3-7-4-10-11-5-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-11-6-3-9-4-10-8(6)12-7;2*1-5(2)8-11-6-3-9-10-4-7(6)12-8;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;2*1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;1-5(2)6(3)4;22*1-2/h6*3-7H,1-2H3;4*3-6H,1-2H3;3-8H,1-2H3;3*3-5H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;22*1-2H3
• InChIKey: ZBIYXGVUSCONAR-UHFFFAOYSA-N
• XLogP: 81.75
• TPSA: 517.85 Ų
• H-Bond Acceptors: 47
• Rotatable Bonds: 24
• Heavy Atoms: 290
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4109.43
LogP ≤ 5	81.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The IUPAC name of cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 162073160) is cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

What is the SMILES notation for cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The canonical SMILES for cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C(C)C.CC(C)C1CC1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2ccncc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2s1.CC(C)c1cc2cncnc2o1.CC(C)c1cc2cnncc2s1.CC(C)c1cc2ncccc2o1.CC(C)c1cc2ncncc2o1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cnccn1.CC(C)c1cncs1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2cnncc2o1.CC(C)c1nc2cnncc2s1.

What is the InChIKey of cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The InChIKey is ZBIYXGVUSCONAR-UHFFFAOYSA-N. The full InChI is InChI=1S/5C10H11NO.C10H11NS.2C9H10N2O.2C9H10N2S.C9H12.2C8H9N3O.C8H9N3S.3C8H11N.2C7H10N2.2C7H10S.C6H9NS.C6H12.C6H14.22C2H6/c2*1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)10-6-8-9(12-10)4-3-5-11-8;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-6(2)8-3-7-9(12-8)4-10-5-11-7;1-6(2)8-3-7-4-10-5-11-9(7)12-8;1-6(2)8-3-7-4-10-11-5-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-11-6-3-9-4-10-8(6)12-7;2*1-5(2)8-11-6-3-9-10-4-7(6)12-8;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;2*1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;1-5(2)6(3)4;22*1-2/h6*3-7H,1-2H3;4*3-6H,1-2H3;3-8H,1-2H3;3*3-5H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;22*1-2H3.

What are the key properties of cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 4109.43 g/mol, XLogP of 81.75, 24 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 162073160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).