1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene

C222H352N8O9S — CID 157298019

About 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene

1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene (PubChem CID 157298019) has the molecular formula C222H352N8O9S and a molecular weight of 3309.37 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene.

Molecular Properties

• Compound Name: 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene
• PubChem CID: 157298019
• Molecular Formula: C222H352N8O9S
• Molecular Weight: 3309.37 g/mol
• Exact Mass: 3306.71
• IUPAC Name: 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene
• SMILES: CC1=C(C)CC(C)CC1.CC1=C(C)CC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)(C)CC1.CC1CCC(C)C(C)C1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1COC(C)CO1.CC1COC(C)OC1.CC1COC(C)OC1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1C.Cc1ccc(C)c(C)n1.Cc1ccc(C)c(C)n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.[H][H]
• InChI: InChI=1S/C12H12.3C10H14.2C9H18.2C9H16.2C9H12.2C8H11N.C8H16.3C8H14.C8H10.2C7H9N.2C7H14O.2C6H8N2.3C6H12O2.C6H8O.C6H8S.H2/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3;1-8-4-6-9(2,3)7-5-8;5*1-7-4-5-8(2)9(3)6-7;2*1-6-4-5-7(2)9-8(6)3;5*1-7-3-5-8(2)6-4-7;4*1-6-3-4-7(2)8-5-6;2*1-5-3-7-6(2)8-4-5;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;2*1-5-3-4-6(2)7-5;/h3-8H,1-2H3;3*5-6H,1-4H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3;7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;2*6-7H,3-5H2,1-2H3;2*3-4H,1-2H3;3*5-6H,3-4H2,1-2H3;2*3-4H,1-2H3;1H
• InChIKey: BBOLEKRGNXWQLU-UHFFFAOYSA-N
• XLogP: 63.87
• TPSA: 190.10 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3309.37
LogP ≤ 5	63.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene?

The IUPAC name of 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene (CID 157298019) is 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene.

What is the SMILES notation for 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene?

The canonical SMILES for 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene is CC1=C(C)CC(C)CC1.CC1=C(C)CC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)(C)CC1.CC1CCC(C)C(C)C1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1COC(C)CO1.CC1COC(C)OC1.CC1COC(C)OC1.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1C.Cc1ccc(C)c(C)n1.Cc1ccc(C)c(C)n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)ccc2c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.[H][H].

What is the InChIKey of 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene?

The InChIKey is BBOLEKRGNXWQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.3C10H14.2C9H18.2C9H16.2C9H12.2C8H11N.C8H16.3C8H14.C8H10.2C7H9N.2C7H14O.2C6H8N2.3C6H12O2.C6H8O.C6H8S.H2/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7-5-8(2)10(4)9(3)6-7;1-7-5-6-8(2)10(4)9(7)3;1-8-4-6-9(2,3)7-5-8;5*1-7-4-5-8(2)9(3)6-7;2*1-6-4-5-7(2)9-8(6)3;5*1-7-3-5-8(2)6-4-7;4*1-6-3-4-7(2)8-5-6;2*1-5-3-7-6(2)8-4-5;1-5-3-8-6(2)4-7-5;2*1-5-3-7-6(2)8-4-5;2*1-5-3-4-6(2)7-5;/h3-8H,1-2H3;3*5-6H,1-4H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3;7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3;2*6-7H,3-5H2,1-2H3;2*3-4H,1-2H3;3*5-6H,3-4H2,1-2H3;2*3-4H,1-2H3;1H.

What are the key properties of 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene?

1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene has a molecular weight of 3309.37 g/mol, XLogP of 63.87, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene is sourced from PubChem (CID 157298019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).