lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate

C86H161LiO10Si4 — CID 159324761

About lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate

lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate (PubChem CID 159324761) has the molecular formula C86H161LiO10Si4 and a molecular weight of 1474.51 g/mol. Its IUPAC name is lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate
• PubChem CID: 159324761
• Molecular Formula: C86H161LiO10Si4
• Molecular Weight: 1474.51 g/mol
• Exact Mass: 1473.13
• IUPAC Name: lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate
• SMILES: C.CC(C)[Si](O[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H]1C)(C(C)C)C(C)C.COC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](CCc2ccccc2)O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.O.[Li+].[OH-]
• InChI: InChI=1S/C43H78O4Si2.C42H76O4Si2.CH4.Li.2H2O/c1-31(2)48(32(3)4,33(5)6)46-39(27-26-38-22-18-17-19-23-38)28-29-40-37(13)30-42(47-49(34(7)8,35(9)10)36(11)12)41(40)24-20-15-16-21-25-43(44)45-14;1-30(2)47(31(3)4,32(5)6)45-38(26-25-37-21-17-16-18-22-37)27-28-39-36(13)29-41(40(39)23-19-14-15-20-24-42(43)44)46-48(33(7)8,34(9)10)35(11)12;;;;/h15,17-20,22-23,31-37,39-42H,16,21,24-30H2,1-14H3;14,16-19,21-22,30-36,38-41H,15,20,23-29H2,1-13H3,(H,43,44);1H4;;2*1H2/q;;;+1;;/p-1/b20-15-;19-14-;;;;/t37-,39+,40+,41-,42+;36-,38+,39+,40-,41+;;;;/m11..../s1
• InChIKey: SQJPNPUGGXMWFS-DNCNDRJXSA-M
• XLogP: 22.72
• TPSA: 162.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 44
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1474.51
LogP ≤ 5	22.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate?

The IUPAC name of lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate (CID 159324761) is lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate.

What is the SMILES notation for lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate?

The canonical SMILES for lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate is C.CC(C)[Si](O[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H]1C)(C(C)C)C(C)C.COC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@H](CCc2ccccc2)O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.O.[Li+].[OH-].

What is the InChIKey of lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate?

The InChIKey is SQJPNPUGGXMWFS-DNCNDRJXSA-M. The full InChI is InChI=1S/C43H78O4Si2.C42H76O4Si2.CH4.Li.2H2O/c1-31(2)48(32(3)4,33(5)6)46-39(27-26-38-22-18-17-19-23-38)28-29-40-37(13)30-42(47-49(34(7)8,35(9)10)36(11)12)41(40)24-20-15-16-21-25-43(44)45-14;1-30(2)47(31(3)4,32(5)6)45-38(26-25-37-21-17-16-18-22-37)27-28-39-36(13)29-41(40(39)23-19-14-15-20-24-42(43)44)46-48(33(7)8,34(9)10)35(11)12;;;;/h15,17-20,22-23,31-37,39-42H,16,21,24-30H2,1-14H3;14,16-19,21-22,30-36,38-41H,15,20,23-29H2,1-13H3,(H,43,44);1H4;;2*1H2/q;;;+1;;/p-1/b20-15-;19-14-;;;;/t37-,39+,40+,41-,42+;36-,38+,39+,40-,41+;;;;/m11..../s1.

What are the key properties of lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate?

lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate has a molecular weight of 1474.51 g/mol, XLogP of 22.72, 44 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;methane;methyl (Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoate;(Z)-7-[(1R,2S,3R,5S)-3-methyl-2-[(3R)-5-phenyl-3-tri(propan-2-yl)silyloxypentyl]-5-tri(propan-2-yl)silyloxycyclopentyl]hept-5-enoic acid;hydroxide;hydrate is sourced from PubChem (CID 159324761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).