ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene

C111H247N11OS2 — CID 157498426

About ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene

ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene (PubChem CID 157498426) has the molecular formula C111H247N11OS2 and a molecular weight of 1816.41 g/mol. Its IUPAC name is ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene.

Molecular Properties

• Compound Name: ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene
• PubChem CID: 157498426
• Molecular Formula: C111H247N11OS2
• Molecular Weight: 1816.41 g/mol
• Exact Mass: 1814.91
• IUPAC Name: ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C=CCCC1.CC1CCCC1.CC1CCCCC1.CN1C=CCCC1.CN1CCCC1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1nccs1.Cn1ccnc1.c1ccoc1.c1ccsc1.c1nn[nH]n1
• InChI: InChI=1S/C7H14.C7H12.C7H8.C6H7N.C6H11N.C6H7N.C6H12.C5H11N.C4H6N2.C4H5NS.C4H4O.C4H4S.16C2H6.CH2N4.12CH4/c3*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-4-5-2-3-6-4;2*1-2-4-5-3-1;16*1-2;1-2-4-5-3-1;;;;;;;;;;;;/h7H,2-6H2,1H3;3,5,7H,2,4,6H2,1H3;2-6H,1H3;2-5H,1H3;3,5H,2,4,6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-4H,1H3;2-3H,1H3;2*1-4H;16*1-2H3;1H,(H,2,3,4,5);12*1H4
• InChIKey: BYCOZHFCGKAFLW-UHFFFAOYSA-N
• XLogP: 42.01
• TPSA: 130.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1816.41
LogP ≤ 5	42.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene?

The IUPAC name of ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene (CID 157498426) is ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene.

What is the SMILES notation for ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene?

The canonical SMILES for ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene is C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C=CCCC1.CC1CCCC1.CC1CCCCC1.CN1C=CCCC1.CN1CCCC1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1nccs1.Cn1ccnc1.c1ccoc1.c1ccsc1.c1nn[nH]n1.

What is the InChIKey of ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene?

The InChIKey is BYCOZHFCGKAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C7H12.C7H8.C6H7N.C6H11N.C6H7N.C6H12.C5H11N.C4H6N2.C4H5NS.C4H4O.C4H4S.16C2H6.CH2N4.12CH4/c3*1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;2*1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-4-5-2-3-6-4;2*1-2-4-5-3-1;16*1-2;1-2-4-5-3-1;;;;;;;;;;;;/h7H,2-6H2,1H3;3,5,7H,2,4,6H2,1H3;2-6H,1H3;2-5H,1H3;3,5H,2,4,6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-4H,1H3;2-3H,1H3;2*1-4H;16*1-2H3;1H,(H,2,3,4,5);12*1H4.

What are the key properties of ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene?

ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene has a molecular weight of 1816.41 g/mol, XLogP of 42.01, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;furan;methane;methylcyclohexane;3-methylcyclohexene;methylcyclopentane;1-methyl-3,4-dihydro-2H-pyridine;1-methylimidazole;2-methylpyridine;3-methylpyridine;1-methylpyrrolidine;2-methyl-1,3-thiazole;2H-tetrazole;thiophene;toluene is sourced from PubChem (CID 157498426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).