2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane

C187H326 — CID 157353263

About 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane

2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane (PubChem CID 157353263) has the molecular formula C187H326 and a molecular weight of 2574.67 g/mol. Its IUPAC name is 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane.

Molecular Properties

• Compound Name: 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane
• PubChem CID: 157353263
• Molecular Formula: C187H326
• Molecular Weight: 2574.67 g/mol
• Exact Mass: 2572.55
• IUPAC Name: 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane
• SMILES: CCC1C2CC3CC(C2)CC1(CC)C3.CCC1C2CC3CC(C2)CC1(CC12CC4CC(CC(C4)C1CC)C2)C3.CCC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CC.CCCC1C2CCC(CC2)C1CC.CCCC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CCC.CCCC1C2CCC(CC2)C1CCC.CCCCC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CCCC.CCCCCC1C2CCC(CC2)C1CCC.CCCCCC1C2CCC(CC2)C1CCCCC
• InChI: InChI=1S/C34H58.C30H50.C25H40.C23H40.C18H34.C16H30.C14H24.C14H26.C13H24/c1-3-5-7-29-23-9-13-25(14-10-23)31(29)21-33-27-17-19-28(20-18-27)34(33)22-32-26-15-11-24(12-16-26)30(32)8-6-4-2;1-3-25-19-5-9-21(10-6-19)27(25)17-29-23-13-15-24(16-14-23)30(29)18-28-22-11-7-20(8-12-22)26(28)4-2;1-3-22-20-7-16-5-17(8-20)12-24(22,11-16)15-25-13-18-6-19(14-25)10-21(9-18)23(25)4-2;1-3-5-20-16-7-11-18(12-8-16)22(20)15-23-19-13-9-17(10-14-19)21(23)6-4-2;1-3-5-7-9-17-15-11-13-16(14-12-15)18(17)10-8-6-4-2;1-3-5-6-8-16-14-11-9-13(10-12-14)15(16)7-4-2;1-3-13-12-6-10-5-11(7-12)9-14(13,4-2)8-10;1-3-5-13-11-7-9-12(10-8-11)14(13)6-4-2;1-3-5-13-11-8-6-10(7-9-11)12(13)4-2/h23-34H,3-22H2,1-2H3;19-30H,3-18H2,1-2H3;16-23H,3-15H2,1-2H3;16-23H,3-15H2,1-2H3;15-18H,3-14H2,1-2H3;13-16H,3-12H2,1-2H3;10-13H,3-9H2,1-2H3;11-14H,3-10H2,1-2H3;10-13H,3-9H2,1-2H3
• InChIKey: BHTYAJINIFMHON-UHFFFAOYSA-N
• XLogP: 57.97
• TPSA: 0.00 Ų
• Rotatable Bonds: 49
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2574.67
LogP ≤ 5	57.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane?

The IUPAC name of 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane (CID 157353263) is 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane.

What is the SMILES notation for 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane?

The canonical SMILES for 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane is CCC1C2CC3CC(C2)CC1(CC)C3.CCC1C2CC3CC(C2)CC1(CC12CC4CC(CC(C4)C1CC)C2)C3.CCC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CC.CCCC1C2CCC(CC2)C1CC.CCCC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CCC.CCCC1C2CCC(CC2)C1CCC.CCCCC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CC1C2CCC(CC2)C1CCCC.CCCCCC1C2CCC(CC2)C1CCC.CCCCCC1C2CCC(CC2)C1CCCCC.

What is the InChIKey of 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane?

The InChIKey is BHTYAJINIFMHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58.C30H50.C25H40.C23H40.C18H34.C16H30.C14H24.C14H26.C13H24/c1-3-5-7-29-23-9-13-25(14-10-23)31(29)21-33-27-17-19-28(20-18-27)34(33)22-32-26-15-11-24(12-16-26)30(32)8-6-4-2;1-3-25-19-5-9-21(10-6-19)27(25)17-29-23-13-15-24(16-14-23)30(29)18-28-22-11-7-20(8-12-22)26(28)4-2;1-3-22-20-7-16-5-17(8-20)12-24(22,11-16)15-25-13-18-6-19(14-25)10-21(9-18)23(25)4-2;1-3-5-20-16-7-11-18(12-8-16)22(20)15-23-19-13-9-17(10-14-19)21(23)6-4-2;1-3-5-7-9-17-15-11-13-16(14-12-15)18(17)10-8-6-4-2;1-3-5-6-8-16-14-11-9-13(10-12-14)15(16)7-4-2;1-3-13-12-6-10-5-11(7-12)9-14(13,4-2)8-10;1-3-5-13-11-7-9-12(10-8-11)14(13)6-4-2;1-3-5-13-11-8-6-10(7-9-11)12(13)4-2/h23-34H,3-22H2,1-2H3;19-30H,3-18H2,1-2H3;16-23H,3-15H2,1-2H3;16-23H,3-15H2,1-2H3;15-18H,3-14H2,1-2H3;13-16H,3-12H2,1-2H3;10-13H,3-9H2,1-2H3;11-14H,3-10H2,1-2H3;10-13H,3-9H2,1-2H3.

What are the key properties of 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane?

2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane has a molecular weight of 2574.67 g/mol, XLogP of 57.97, 49 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane is sourced from PubChem (CID 157353263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).