2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole)

C107H182N5O2PS2 — CID 161058944

About 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole)

2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole) (PubChem CID 161058944) has the molecular formula C107H182N5O2PS2 and a molecular weight of 1665.77 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(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;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole)
• PubChem CID: 161058944
• Molecular Formula: C107H182N5O2PS2
• Molecular Weight: 1665.77 g/mol
• Exact Mass: 1664.35
• IUPAC Name: 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(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)C(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.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1oc(C)c(C)c1C.Cc1oc(C)c(C)p1
• InChI: InChI=1S/C18H32.C17H32.2C15H26.C9H15N.C8H12O.C7H12N2.2C6H9NS.C6H9OP/c1-11-12(2)14-15(3,4)13(11)16(5,6)18(9,10)17(14,7)8;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;3*1-4-5(2)8-6(3)7-4/h13-14H,1-10H3;11-12H,1-10H3;2*11-12H,1-8H3;1-5H3;2*1-4H3;3*1-3H3
• InChIKey: UDDDBXQXOSBDPP-UHFFFAOYSA-N
• XLogP: 33.43
• TPSA: 74.81 Ų
• H-Bond Acceptors: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1665.77
LogP ≤ 5	33.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(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;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole) (CID 161058944) is 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(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;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(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;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(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)C(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.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1oc(C)c(C)c1C.Cc1oc(C)c(C)p1.

What is the InChIKey of 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole)?

The InChIKey is UDDDBXQXOSBDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32.C17H32.2C15H26.C9H15N.C8H12O.C7H12N2.2C6H9NS.C6H9OP/c1-11-12(2)14-15(3,4)13(11)16(5,6)18(9,10)17(14,7)8;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;3*1-4-5(2)8-6(3)7-4/h13-14H,1-10H3;11-12H,1-10H3;2*11-12H,1-8H3;1-5H3;2*1-4H3;3*1-3H3.

What are the key properties of 2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole)?

2,2,3,3,5,5,6,6,7,7-decamethylbicyclo[2.2.1]heptane;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole) has a molecular weight of 1665.77 g/mol, XLogP of 33.43, 0 rotatable bonds, 0 hydrogen bond donors, and 9 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;2,2,3,3,4,4,6,7,8,8-decamethylbicyclo[3.2.1]oct-6-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-oxaphosphole;bis(2,4,5-trimethyl-1,3-thiazole) is sourced from PubChem (CID 161058944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).