(Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid

C35H57F3O6Si2 — CID 59905097

About (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid

(Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid (PubChem CID 59905097) has the molecular formula C35H57F3O6Si2 and a molecular weight of 687.00 g/mol. Its IUPAC name is (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

• Compound Name: (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid
• PubChem CID: 59905097
• Molecular Formula: C35H57F3O6Si2
• Molecular Weight: 687.00 g/mol
• Exact Mass: 686.36
• IUPAC Name: (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid
• SMILES: CC(C)(C)[Si](C)(C)OC(/C=C/[C@H]1C(O)CC(O[Si](C)(C)C(C)(C)C)C1C/C=C\CCCC(=O)O)COc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C35H57F3O6Si2/c1-33(2,3)45(7,8)43-27(24-42-26-17-15-16-25(22-26)35(36,37)38)20-21-28-29(18-13-11-12-14-19-32(40)41)31(23-30(28)39)44-46(9,10)34(4,5)6/h11,13,15-17,20-22,27-31,39H,12,14,18-19,23-24H2,1-10H3,(H,40,41)/b13-11-,21-20+/t27?,28-,29?,30?,31?/m1/s1
• InChIKey: XDCSAXJATPJPAL-NMGAFDPNSA-N
• XLogP: 9.62
• TPSA: 85.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.00
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid?

The IUPAC name of (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid (CID 59905097) is (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid.

What is the SMILES notation for (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid?

The canonical SMILES for (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid is CC(C)(C)[Si](C)(C)OC(/C=C/[C@H]1C(O)CC(O[Si](C)(C)C(C)(C)C)C1C/C=C\CCCC(=O)O)COc1cccc(C(F)(F)F)c1.

What is the InChIKey of (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid?

The InChIKey is XDCSAXJATPJPAL-NMGAFDPNSA-N. The full InChI is InChI=1S/C35H57F3O6Si2/c1-33(2,3)45(7,8)43-27(24-42-26-17-15-16-25(22-26)35(36,37)38)20-21-28-29(18-13-11-12-14-19-32(40)41)31(23-30(28)39)44-46(9,10)34(4,5)6/h11,13,15-17,20-22,27-31,39H,12,14,18-19,23-24H2,1-10H3,(H,40,41)/b13-11-,21-20+/t27?,28-,29?,30?,31?/m1/s1.

What are the key properties of (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid?

(Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 687.00 g/mol, XLogP of 9.62, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-7-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 59905097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).