actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)

C186H324Ac5O30 — CID 158040391

About actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)

actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol) (PubChem CID 158040391) has the molecular formula C186H324Ac5O30 and a molecular weight of 4175.61 g/mol. Its IUPAC name is actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol).

Molecular Properties

• Compound Name: actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)
• PubChem CID: 158040391
• Molecular Formula: C186H324Ac5O30
• Molecular Weight: 4175.61 g/mol
• Exact Mass: 4173.52
• IUPAC Name: actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)
• SMILES: CC1C(C)C2CC1C1C3CC(C(O)CCC4(C)OCCCO4)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(O)CCC4(C)OCCCO4)C(C3)C21.CC1C2CC(C(O)CCCC3OCCCO3)C(C2)C1C.CC1C2CC(C(O)CCCC3OCCCO3)C(C2)C1C.CC1C2CC(C(O)CCCCC3OCCCO3)C(C2)C1C.CC1C2CC(C(O)CCCCC3OCCCO3)C(C2)C1C.CC1C2CC(CC(O)CCC3OCCCO3)C(C2)C1C.CC1C2CC(CC(O)CCC3OCCCO3)C(C2)C1C.CC1C2CC(CCCC(O)CCC3OCCCO3)C(C2)C1C.CC1C2CC(CCCC(O)CCC3OCCCO3)C(C2)C1C.[Ac].[Ac].[Ac].[Ac].[Ac]
• InChI: InChI=1S/2C22H36O3.2C19H34O3.2C18H32O3.4C17H30O3.5Ac/c2*1-12-13(2)16-11-15(12)20-14-9-17(18(10-14)21(16)20)19(23)5-6-22(3)24-7-4-8-25-22;2*1-13-14(2)18-12-16(13)11-15(18)5-3-6-17(20)7-8-19-21-9-4-10-22-19;2*1-12-13(2)15-10-14(12)11-16(15)17(19)6-3-4-7-18-20-8-5-9-21-18;2*1-11-12(2)16-10-13(11)8-14(16)9-15(18)4-5-17-19-6-3-7-20-17;2*1-11-12(2)14-9-13(11)10-15(14)16(18)5-3-6-17-19-7-4-8-20-17;;;;;/h2*12-21,23H,4-11H2,1-3H3;2*13-20H,3-12H2,1-2H3;2*12-19H,3-11H2,1-2H3;4*11-18H,3-10H2,1-2H3
• InChIKey: JDQWJURUSPRAAK-UHFFFAOYSA-N
• XLogP: 36.19
• TPSA: 386.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 54
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4175.61
LogP ≤ 5	36.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)?

The IUPAC name of actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol) (CID 158040391) is actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol).

What is the SMILES notation for actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)?

The canonical SMILES for actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol) is CC1C(C)C2CC1C1C3CC(C(O)CCC4(C)OCCCO4)C(C3)C21.CC1C(C)C2CC1C1C3CC(C(O)CCC4(C)OCCCO4)C(C3)C21.CC1C2CC(C(O)CCCC3OCCCO3)C(C2)C1C.CC1C2CC(C(O)CCCC3OCCCO3)C(C2)C1C.CC1C2CC(C(O)CCCCC3OCCCO3)C(C2)C1C.CC1C2CC(C(O)CCCCC3OCCCO3)C(C2)C1C.CC1C2CC(CC(O)CCC3OCCCO3)C(C2)C1C.CC1C2CC(CC(O)CCC3OCCCO3)C(C2)C1C.CC1C2CC(CCCC(O)CCC3OCCCO3)C(C2)C1C.CC1C2CC(CCCC(O)CCC3OCCCO3)C(C2)C1C.[Ac].[Ac].[Ac].[Ac].[Ac].

What is the InChIKey of actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)?

The InChIKey is JDQWJURUSPRAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H36O3.2C19H34O3.2C18H32O3.4C17H30O3.5Ac/c2*1-12-13(2)16-11-15(12)20-14-9-17(18(10-14)21(16)20)19(23)5-6-22(3)24-7-4-8-25-22;2*1-13-14(2)18-12-16(13)11-15(18)5-3-6-17(20)7-8-19-21-9-4-10-22-19;2*1-12-13(2)15-10-14(12)11-16(15)17(19)6-3-4-7-18-20-8-5-9-21-18;2*1-11-12(2)16-10-13(11)8-14(16)9-15(18)4-5-17-19-6-3-7-20-17;2*1-11-12(2)14-9-13(11)10-15(14)16(18)5-3-6-17-19-7-4-8-20-17;;;;;/h2*12-21,23H,4-11H2,1-3H3;2*13-20H,3-12H2,1-2H3;2*12-19H,3-11H2,1-2H3;4*11-18H,3-10H2,1-2H3;;;;;.

What are the key properties of actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)?

actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol) has a molecular weight of 4175.61 g/mol, XLogP of 36.19, 54 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol) is sourced from PubChem (CID 158040391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).