2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole

C96H166N4OS — CID 159578737

About 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole

2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole (PubChem CID 159578737) has the molecular formula C96H166N4OS and a molecular weight of 1424.48 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole
• PubChem CID: 159578737
• Molecular Formula: C96H166N4OS
• Molecular Weight: 1424.48 g/mol
• Exact Mass: 1423.28
• IUPAC Name: 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole
• SMILES: CC1(C)C2C(C)(C)C(C)(C)C1C(C)(C)C2(C)C.CC1=C(C)C2C(C)(C)C1C(C)(C)C2(C)C.CC1=C(C)C2C(C)(C)C1C(C)(C)C2(C)C.CC1=C(C)C2C(C)(C)C1C(C)(C)CC(C)(C)C2(C)C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1oc(C)c(C)c1C
• InChI: InChI=1S/C19H34.C17H32.2C15H26.C9H15N.C8H12O.C7H12N2.C6H9NS/c1-12-13(2)15-18(7,8)14(12)16(3,4)11-17(5,6)19(15,9)10;1-13(2)11-14(3,4)15(5,6)12(13)17(9,10)16(11,7)8;2*1-9-10(2)12-13(3,4)11(9)14(5,6)15(12,7)8;1-6-7(2)9(4)10(5)8(6)3;1-5-6(2)8(4)9-7(5)3;1-5-6(2)9(4)7(3)8-5;1-4-5(2)8-6(3)7-4/h14-15H,11H2,1-10H3;11-12H,1-10H3;2*11-12H,1-8H3;1-5H3;2*1-4H3;1-3H3
• InChIKey: MISUYZARMAJUAJ-UHFFFAOYSA-N
• XLogP: 28.96
• TPSA: 48.78 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1424.48
LogP ≤ 5	28.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole?

The IUPAC name of 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole (CID 159578737) is 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole.

What is the SMILES notation for 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole?

The canonical SMILES for 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole is CC1(C)C2C(C)(C)C(C)(C)C1C(C)(C)C2(C)C.CC1=C(C)C2C(C)(C)C1C(C)(C)C2(C)C.CC1=C(C)C2C(C)(C)C1C(C)(C)C2(C)C.CC1=C(C)C2C(C)(C)C1C(C)(C)CC(C)(C)C2(C)C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1oc(C)c(C)c1C.

What is the InChIKey of 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole?

The InChIKey is MISUYZARMAJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34.C17H32.2C15H26.C9H15N.C8H12O.C7H12N2.C6H9NS/c1-12-13(2)15-18(7,8)14(12)16(3,4)11-17(5,6)19(15,9)10;1-13(2)11-14(3,4)15(5,6)12(13)17(9,10)16(11,7)8;2*1-9-10(2)12-13(3,4)11(9)14(5,6)15(12,7)8;1-6-7(2)9(4)10(5)8(6)3;1-5-6(2)8(4)9-7(5)3;1-5-6(2)9(4)7(3)8-5;1-4-5(2)8-6(3)7-4/h14-15H,11H2,1-10H3;11-12H,1-10H3;2*11-12H,1-8H3;1-5H3;2*1-4H3;1-3H3.

What are the key properties of 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole?

2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 1424.48 g/mol, XLogP of 28.96, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,5,5,7,8,9,9-decamethylbicyclo[4.2.1]non-7-ene;bis(2,3,5,5,6,6,7,7-octamethylbicyclo[2.2.1]hept-2-ene);1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 159578737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).