cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene)

C231H337N27O8S8 — CID 160596577

About cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene)

cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene) (PubChem CID 160596577) has the molecular formula C231H337N27O8S8 and a molecular weight of 3876.95 g/mol. Its IUPAC name is cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene).

Molecular Properties

• Compound Name: cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene)
• PubChem CID: 160596577
• Molecular Formula: C231H337N27O8S8
• Molecular Weight: 3876.95 g/mol
• Exact Mass: 3873.46
• IUPAC Name: cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene)
• SMILES: CC(C)C1=CC=CC1.CC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=CN=CC1.CC(C)C1=NC=CC1.CC(C)C1=NN=CC1.CC(C)C1C=CN=C1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1
• InChI: InChI=1S/C9H12.3C8H11N.2C8H12.6C7H10N2.4C7H11N.5C7H10O.5C7H10S.C6H10N2.3C6H9NO.3C6H9NS/c1-8(2)9-6-4-3-5-7-9;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*1-7(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)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;3*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;3*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;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)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-8H,1-2H3;3*3-7H,1-2H3;3,5-7H,4H2,1-2H3;3-5,7H,6H2,1-2H3;6*3-6H,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;3,5-6H,4H2,1-2H3;10*3-6H,1-2H3;4-5H,3H2,1-2H3;6*3-5H,1-2H3
• InChIKey: RDSFRGWHUSJEBH-UHFFFAOYSA-N
• XLogP: 71.98
• TPSA: 449.97 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3876.95
LogP ≤ 5	71.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene)?

The IUPAC name of cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene) (CID 160596577) is cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene).

What is the SMILES notation for cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene)?

The canonical SMILES for cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene) is CC(C)C1=CC=CC1.CC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=CN=CC1.CC(C)C1=NC=CC1.CC(C)C1=NN=CC1.CC(C)C1C=CN=C1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.

What is the InChIKey of cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene)?

The InChIKey is RDSFRGWHUSJEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.2C8H12.6C7H10N2.4C7H11N.5C7H10O.5C7H10S.C6H10N2.3C6H9NO.3C6H9NS/c1-8(2)9-6-4-3-5-7-9;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*1-7(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)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;3*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;3*1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;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)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-8H,1-2H3;3*3-7H,1-2H3;3,5-7H,4H2,1-2H3;3-5,7H,6H2,1-2H3;6*3-6H,1-2H3;4-6H,3H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3;3,5-6H,4H2,1-2H3;10*3-6H,1-2H3;4-5H,3H2,1-2H3;6*3-5H,1-2H3.

What are the key properties of cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene)?

cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene) has a molecular weight of 3876.95 g/mol, XLogP of 71.98, 33 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);tris(3-propan-2-ylfuran);2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);tris(3-propan-2-ylthiophene) is sourced from PubChem (CID 160596577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).