3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane

C124H221N11O3S3 — CID 158785471

About 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane

3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane (PubChem CID 158785471) has the molecular formula C124H221N11O3S3 and a molecular weight of 2010.41 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane.

Molecular Properties

• Compound Name: 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane
• PubChem CID: 158785471
• Molecular Formula: C124H221N11O3S3
• Molecular Weight: 2010.41 g/mol
• Exact Mass: 2008.66
• IUPAC Name: 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(C)CN=C1.CC1=C(C)COC1.CC1=C(C)CSC1.Cc1cc[nH]c1C.Cc1cc[nH]c1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cncnc1C.Cc1cncnc1C
• InChI: InChI=1S/4C7H9N.2C6H8N2.3C6H9N.C6H10O.2C6H8O.C6H10S.2C6H8S.15C2H6/c2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-5-3-7-4-8-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;15*1-2/h4*3-5H,1-2H3;2*3-4H,1-2H3;3H,4H2,1-2H3;2*3-4,7H,1-2H3;3-4H2,1-2H3;2*3-4H,1-2H3;3-4H2,1-2H3;2*3-4H,1-2H3;15*1-2H3
• InChIKey: IRPXCZTZFPFDPI-UHFFFAOYSA-N
• XLogP: 40.99
• TPSA: 182.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2010.41
LogP ≤ 5	40.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane?

The IUPAC name of 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane (CID 158785471) is 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane.

What is the SMILES notation for 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane?

The canonical SMILES for 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(C)CN=C1.CC1=C(C)COC1.CC1=C(C)CSC1.Cc1cc[nH]c1C.Cc1cc[nH]c1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cncnc1C.Cc1cncnc1C.

What is the InChIKey of 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane?

The InChIKey is IRPXCZTZFPFDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H9N.2C6H8N2.3C6H9N.C6H10O.2C6H8O.C6H10S.2C6H8S.15C2H6/c2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;2*1-5-3-7-4-8-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;2*1-5-3-4-7-6(5)2;15*1-2/h4*3-5H,1-2H3;2*3-4H,1-2H3;3H,4H2,1-2H3;2*3-4,7H,1-2H3;3-4H2,1-2H3;2*3-4H,1-2H3;3-4H2,1-2H3;2*3-4H,1-2H3;15*1-2H3.

What are the key properties of 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane?

3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane has a molecular weight of 2010.41 g/mol, XLogP of 40.99, 0 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyl-2,5-dihydrofuran;3,4-dimethyl-2,5-dihydrothiophene;bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-2H-pyrrole;bis(2,3-dimethylthiophene);ethane is sourced from PubChem (CID 158785471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).