ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C96H176N6O5S3 — CID 158328716

About ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 158328716) has the molecular formula C96H176N6O5S3 and a molecular weight of 1590.70 g/mol. Its IUPAC name is ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

• Compound Name: ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• PubChem CID: 158328716
• Molecular Formula: C96H176N6O5S3
• Molecular Weight: 1590.70 g/mol
• Exact Mass: 1589.29
• IUPAC Name: ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCC=C1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cnoc1.CC(C)n1cccc1
• InChI: InChI=1S/C8H12.2C7H11N.2C7H10O.2C7H10S.3C6H9NO.C6H9NS.11C2H6/c2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;11*1-2/h3,5-7H,4H2,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4*3-6H,1-2H3;4*3-5H,1-2H3;11*1-2H3
• InChIKey: GPSUHFDNIWGLIK-UHFFFAOYSA-N
• XLogP: 36.23
• TPSA: 137.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.70
LogP ≤ 5	36.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The IUPAC name of ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 158328716) is ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

What is the SMILES notation for ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The canonical SMILES for ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCC=C1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cnoc1.CC(C)n1cccc1.

What is the InChIKey of ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

The InChIKey is GPSUHFDNIWGLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.2C7H11N.2C7H10O.2C7H10S.3C6H9NO.C6H9NS.11C2H6/c2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;2*1-5(2)6-3-4-7-8-6;11*1-2/h3,5-7H,4H2,1-2H3;3-7H,1-2H3;3-6,8H,1-2H3;4*3-6H,1-2H3;4*3-5H,1-2H3;11*1-2H3.

What are the key properties of ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?

ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 1590.70 g/mol, XLogP of 36.23, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 158328716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).