methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene

C116H151N21O9S — CID 157498301

About methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene

methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene (PubChem CID 157498301) has the molecular formula C116H151N21O9S and a molecular weight of 2015.69 g/mol. Its IUPAC name is methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene.

Molecular Properties

• Compound Name: methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene
• PubChem CID: 157498301
• Molecular Formula: C116H151N21O9S
• Molecular Weight: 2015.69 g/mol
• Exact Mass: 2014.17
• IUPAC Name: methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene
• SMILES: CC1CCCCC1.CC1CCNCC1.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccccc2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccoc1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1cnoc1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncco1.Cc1nnco1
• InChI: InChI=1S/C11H10.C10H12.C9H10O2.C7H14.C7H8.C6H13N.2C6H7N.2C5H6N2.2C5H6O.2C4H6N2.4C4H5NO.C4H5NS.C3H5N3.C3H4N2O/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-3-2-4-6-5-3;1-3-5-4-2-6-3/h2-8H,1H3;5-7H,2-4H2,1H3;2-3,6H,4-5H2,1H3;7H,2-6H2,1H3;2-6H,1H3;6-7H,2-5H2,1H3;2*2-5H,1H3;2*2-4H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;2H,1H3,(H,4,5,6);2H,1H3
• InChIKey: BYCDUPHVFREGLK-UHFFFAOYSA-N
• XLogP: 27.82
• TPSA: 388.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.69
LogP ≤ 5	27.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene?

The IUPAC name of methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene (CID 157498301) is methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene.

What is the SMILES notation for methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene?

The canonical SMILES for methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene is CC1CCCCC1.CC1CCNCC1.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)OCCO2.Cc1ccc2ccccc2c1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1ccoc1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1cnoc1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncco1.Cc1nnco1.

What is the InChIKey of methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene?

The InChIKey is BYCDUPHVFREGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C10H12.C9H10O2.C7H14.C7H8.C6H13N.2C6H7N.2C5H6N2.2C5H6O.2C4H6N2.4C4H5NO.C4H5NS.C3H5N3.C3H4N2O/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-8-9(6-7)11-5-4-10-8;2*1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-3-2-4-6-5-3;1-3-5-4-2-6-3/h2-8H,1H3;5-7H,2-4H2,1H3;2-3,6H,4-5H2,1H3;7H,2-6H2,1H3;2-6H,1H3;6-7H,2-5H2,1H3;2*2-5H,1H3;2*2-4H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;2H,1H3,(H,4,5,6);2H,1H3.

What are the key properties of methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene?

methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene has a molecular weight of 2015.69 g/mol, XLogP of 27.82, 0 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for methylcyclohexane;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1H-indene;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;2-methylnaphthalene;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methylpiperidine;2-methylpyrazine;4-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;4-methyl-1,3-thiazole;4-methyl-2H-triazole;toluene is sourced from PubChem (CID 157498301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).