1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene

C75H124N8OS — CID 157225889

About 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene

1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene (PubChem CID 157225889) has the molecular formula C75H124N8OS and a molecular weight of 1185.94 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene.

Molecular Properties

• Compound Name: 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene
• PubChem CID: 157225889
• Molecular Formula: C75H124N8OS
• Molecular Weight: 1185.94 g/mol
• Exact Mass: 1184.96
• IUPAC Name: 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene
• SMILES: CC1=CCC(C)CC1.CC1=CCN(C)CC1.CC1CCC(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1cc(C)[nH]n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1
• InChI: InChI=1S/C8H16.C8H14.C8H10.C7H15N.C7H13N.2C7H9N.C6H14N2.C6H8O.C6H8S.C5H8N2/c5*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-7-3-5-8(2)6-4-7;2*1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4/h7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7)
• InChIKey: ATNMRHKKPQFYPI-UHFFFAOYSA-N
• XLogP: 19.05
• TPSA: 80.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.94
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene?

The IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene (CID 157225889) is 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene.

What is the SMILES notation for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene?

The canonical SMILES for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene is CC1=CCC(C)CC1.CC1=CCN(C)CC1.CC1CCC(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.Cc1cc(C)[nH]n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.

What is the InChIKey of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene?

The InChIKey is ATNMRHKKPQFYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C8H14.C8H10.C7H15N.C7H13N.2C7H9N.C6H14N2.C6H8O.C6H8S.C5H8N2/c5*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;1-7-3-5-8(2)6-4-7;2*1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4/h7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-5H,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7).

What are the key properties of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene?

1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene has a molecular weight of 1185.94 g/mol, XLogP of 19.05, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene is sourced from PubChem (CID 157225889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).