cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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

C207H382N24O2S2 — CID 158531170

About cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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

cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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 (PubChem CID 158531170) has the molecular formula C207H382N24O2S2 and a molecular weight of 3303.63 g/mol. Its IUPAC name is cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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.

Molecular Properties

• Compound Name: cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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
• PubChem CID: 158531170
• Molecular Formula: C207H382N24O2S2
• Molecular Weight: 3303.63 g/mol
• Exact Mass: 3301.00
• IUPAC Name: cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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
• SMILES: CC(C)(C)Cn1cnnc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cn1cccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1
• InChI: InChI=1S/C9H12.3C8H11N.2C8H12O.2C8H12S.C7H13N3.4C7H10N2.3C7H12N2.2C7H10N2.18C4H10/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;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2,3)4-10-5-8-9-6-10;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;2*1-6(2)5-7-3-4-8-9-7;1-7(2)6-9-5-3-4-8-9;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;18*1-4(2)3/h3-8H,1-2H3;3*3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,4H2,1-3H3;4*3-6H,1-2H3;2*3-4,6H,5H2,1-2H3,(H,8,9);3-5,7H,6H2,1-2H3;2*3-6H,1-2H3;18*4H,1-3H3
• InChIKey: HNJSCNCVOBTRGM-UHFFFAOYSA-N
• XLogP: 65.88
• TPSA: 325.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3303.63
LogP ≤ 5	65.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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?

The IUPAC name of cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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 (CID 158531170) is cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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.

What is the SMILES notation for cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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?

The canonical SMILES for cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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 is CC(C)(C)Cn1cnnc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccn[nH]1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cn1cccn1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.

What is the InChIKey of cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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?

The InChIKey is HNJSCNCVOBTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.2C8H12O.2C8H12S.C7H13N3.4C7H10N2.3C7H12N2.2C7H10N2.18C4H10/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;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2,3)4-10-5-8-9-6-10;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;2*1-6(2)5-7-3-4-8-9-7;1-7(2)6-9-5-3-4-8-9;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;18*1-4(2)3/h3-8H,1-2H3;3*3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,4H2,1-3H3;4*3-6H,1-2H3;2*3-4,6H,5H2,1-2H3,(H,8,9);3-5,7H,6H2,1-2H3;2*3-6H,1-2H3;18*4H,1-3H3.

What are the key properties of cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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?

cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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 has a molecular weight of 3303.63 g/mol, XLogP of 65.88, 25 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;4-(2,2-dimethylpropyl)-1,2,4-triazole;octadecakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;2-propan-2-ylpyrazine;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 is sourced from PubChem (CID 158531170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).