1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane

C2H31IO59Si24 — CID 163466917

About 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane

1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane (PubChem CID 163466917) has the molecular formula C2H31IO59Si24 and a molecular weight of 1800.18 g/mol. Its IUPAC name is 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane.

Molecular Properties

• Compound Name: 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane
• PubChem CID: 163466917
• Molecular Formula: C2H31IO59Si24
• Molecular Weight: 1800.18 g/mol
• Exact Mass: 1797.29
• IUPAC Name: 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane
• SMILES: CO.C[Si]1(O)O[Si]2(O)O[Si]3(O)O[SiH]4O[Si](O)(O[Si](O)(O)O3)O[Si](O)(O1)O[Si](O)(O4)O2.O[Si]12O[Si]3(O)O[Si](O)(O1)O[Si]1(O)O[Si](O)(O[Si](O)(O1)O3)O2.O[Si]12O[Si]3(O)O[Si]4(O)O[Si](O)(O1)O[Si]1(O)O[Si](O)(O2)O[Si]2(O)O[Si](O)(O3)O[Si](O)(O4)O[Si](I)(O1)O2
• InChI: InChI=1S/CH12O19Si8.CH4O.H9IO24Si10.H6O15Si6/c1-22(2)13-27(8)17-24(5)10-21-11-25(6,16-23(3,4)15-24)18-28(9,14-22)20-26(7,12-21)19-27;1-2;1-26-11-27(2)14-30(5)16-28(3,12-26)18-32(7)22-33(8)19-29(4,13-26)17-31(6,15-27)21-35(10,24-33)25-34(9,20-30)23-32;1-16-7-17(2)9-18(3,8-16)15-21(6)11-19(4,13-16)10-20(5,12-21)14-17/h2-9,21H,1H3;2H,1H3;2-10H;1-6H
• InChIKey: BTJONLVVKHARAR-UHFFFAOYSA-N
• XLogP: -23.53
• TPSA: 808.57 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 59
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1800.18
LogP ≤ 5	-23.53
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane?

The IUPAC name of 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane (CID 163466917) is 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane.

What is the SMILES notation for 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane?

The canonical SMILES for 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane is CO.C[Si]1(O)O[Si]2(O)O[Si]3(O)O[SiH]4O[Si](O)(O[Si](O)(O)O3)O[Si](O)(O1)O[Si](O)(O4)O2.O[Si]12O[Si]3(O)O[Si](O)(O1)O[Si]1(O)O[Si](O)(O[Si](O)(O1)O3)O2.O[Si]12O[Si]3(O)O[Si]4(O)O[Si](O)(O1)O[Si]1(O)O[Si](O)(O2)O[Si]2(O)O[Si](O)(O3)O[Si](O)(O4)O[Si](I)(O1)O2.

What is the InChIKey of 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane?

The InChIKey is BTJONLVVKHARAR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH12O19Si8.CH4O.H9IO24Si10.H6O15Si6/c1-22(2)13-27(8)17-24(5)10-21-11-25(6,16-23(3,4)15-24)18-28(9,14-22)20-26(7,12-21)19-27;1-2;1-26-11-27(2)14-30(5)16-28(3,12-26)18-32(7)22-33(8)19-29(4,13-26)17-31(6,15-27)21-35(10,24-33)25-34(9,20-30)23-32;1-16-7-17(2)9-18(3,8-16)15-21(6)11-19(4,13-16)10-20(5,12-21)14-17/h2-9,21H,1H3;2H,1H3;2-10H;1-6H.

What are the key properties of 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane?

1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane has a molecular weight of 1800.18 g/mol, XLogP of -23.53, 0 rotatable bonds, 24 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane is sourced from PubChem (CID 163466917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).