ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

C89H158N6O5S4 — CID 158270647

About ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene

ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 158270647) has the molecular formula C89H158N6O5S4 and a molecular weight of 1520.55 g/mol. Its IUPAC name is ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

• Compound Name: ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
• PubChem CID: 158270647
• Molecular Formula: C89H158N6O5S4
• Molecular Weight: 1520.55 g/mol
• Exact Mass: 1519.12
• IUPAC Name: ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=CC1.CC1=CCC=C1.CC1=CCC=C1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccc1
• InChI: InChI=1S/3C6H8.C5H7N.2C5H6O.2C5H6S.3C4H5NO.2C4H5NS.13C2H6/c4*1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;13*1-2/h2*2,4-5H,3H2,1H3;2-4H,5H2,1H3;2-5H,1H3;4*2-4H,1H3;5*2-3H,1H3;13*1-2H3
• InChIKey: GIZGNRAXNDZPRE-UHFFFAOYSA-N
• XLogP: 33.18
• TPSA: 135.08 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.55
LogP ≤ 5	33.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

The IUPAC name of ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene (CID 158270647) is ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene.

What is the SMILES notation for ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

The canonical SMILES for ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CC=CC1.CC1=CCC=C1.CC1=CCC=C1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccc1.

What is the InChIKey of ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

The InChIKey is GIZGNRAXNDZPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H8.C5H7N.2C5H6O.2C5H6S.3C4H5NO.2C4H5NS.13C2H6/c4*1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;13*1-2/h2*2,4-5H,3H2,1H3;2-4H,5H2,1H3;2-5H,1H3;4*2-4H,1H3;5*2-3H,1H3;13*1-2H3.

What are the key properties of ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene?

ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 1520.55 g/mol, XLogP of 33.18, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methylcyclopenta-1,3-diene;bis(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158270647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).