cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine

C128H212N8O3 — CID 159318929

About cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine

cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine (PubChem CID 159318929) has the molecular formula C128H212N8O3 and a molecular weight of 1911.16 g/mol. Its IUPAC name is cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
• PubChem CID: 159318929
• Molecular Formula: C128H212N8O3
• Molecular Weight: 1911.16 g/mol
• Exact Mass: 1909.67
• IUPAC Name: cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
• SMILES: C=C1CC=C(C(C)C)CC1.CC(C)C1=CCC(C)(C)CC1.CC(C)C1=CCCCC1.CC(C)C1=CCCCO1.CC(C)C1=COCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCO1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1cnn(C)c1.CC(C)c1ncccn1.CC1CC=C(C(C)C)CC1
• InChI: InChI=1S/C11H20.C10H18.C10H16.C9H18.C9H16.2C9H12.2C8H11N.C8H14O.C8H16O.C8H14O.2C7H12N2.C7H10N2/c1-9(2)10-5-7-11(3,4)8-6-10;2*1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7/h5,9H,6-8H2,1-4H3;6,8-9H,4-5,7H2,1-3H3;6,8H,3-5,7H2,1-2H3;8-9H,3-7H2,1-2H3;6,8H,3-5,7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3;6-7H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3
• InChIKey: LDMUGLNFLKEXDB-UHFFFAOYSA-N
• XLogP: 38.44
• TPSA: 114.89 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1911.16
LogP ≤ 5	38.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

The IUPAC name of cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine (CID 159318929) is cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

What is the SMILES notation for cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

The canonical SMILES for cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine is C=C1CC=C(C(C)C)CC1.CC(C)C1=CCC(C)(C)CC1.CC(C)C1=CCCCC1.CC(C)C1=CCCCO1.CC(C)C1=COCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCO1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1cnn(C)c1.CC(C)c1ncccn1.CC1CC=C(C(C)C)CC1.

What is the InChIKey of cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

The InChIKey is LDMUGLNFLKEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C10H18.C10H16.C9H18.C9H16.2C9H12.2C8H11N.C8H14O.C8H16O.C8H14O.2C7H12N2.C7H10N2/c1-9(2)10-5-7-11(3,4)8-6-10;2*1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7/h5,9H,6-8H2,1-4H3;6,8-9H,4-5,7H2,1-3H3;6,8H,3-5,7H2,1-2H3;8-9H,3-7H2,1-2H3;6,8H,3-5,7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3;6-7H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3.

What are the key properties of cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine has a molecular weight of 1911.16 g/mol, XLogP of 38.44, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;4,4-dimethyl-1-propan-2-ylcyclohexene;4-methylidene-1-propan-2-ylcyclohexene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;5-propan-2-yl-3,4-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine is sourced from PubChem (CID 159318929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).