ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene

C83H151N5O3S2 — CID 162163112

About ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene

ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene (PubChem CID 162163112) has the molecular formula C83H151N5O3S2 and a molecular weight of 1331.29 g/mol. Its IUPAC name is ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene.

Molecular Properties

• Compound Name: ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene
• PubChem CID: 162163112
• Molecular Formula: C83H151N5O3S2
• Molecular Weight: 1331.29 g/mol
• Exact Mass: 1330.13
• IUPAC Name: ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=CC1.CC1CCCCC1.CC1CCNCC1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccsc1.Cc1cnoc1
• InChI: InChI=1S/C7H14.C7H8.C6H13N.2C6H7N.C6H8.C5H6O.2C5H6S.2C4H5NO.11C2H6/c2*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;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;11*1-2/h7H,2-6H2,1H3;2-6H,1H3;6-7H,2-5H2,1H3;2*2-5H,1H3;2-4H,5H2,1H3;3*2-4H,1H3;2*2-3H,1H3;11*1-2H3
• InChIKey: ZMTHZSMGPVPPSR-UHFFFAOYSA-N
• XLogP: 29.22
• TPSA: 103.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1331.29
LogP ≤ 5	29.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene?

The IUPAC name of ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene (CID 162163112) is ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene.

What is the SMILES notation for ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene?

The canonical SMILES for ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=CC1.CC1CCCCC1.CC1CCNCC1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccsc1.Cc1cnoc1.

What is the InChIKey of ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene?

The InChIKey is ZMTHZSMGPVPPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C7H8.C6H13N.2C6H7N.C6H8.C5H6O.2C5H6S.2C4H5NO.11C2H6/c2*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;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;11*1-2/h7H,2-6H2,1H3;2-6H,1H3;6-7H,2-5H2,1H3;2*2-5H,1H3;2-4H,5H2,1H3;3*2-4H,1H3;2*2-3H,1H3;11*1-2H3.

What are the key properties of ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene?

ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene has a molecular weight of 1331.29 g/mol, XLogP of 29.22, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylthiophene;3-methylthiophene;toluene is sourced from PubChem (CID 162163112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).