(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid

C33H42O8 — CID 70619477

About (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid (PubChem CID 70619477) has the molecular formula C33H42O8 and a molecular weight of 566.69 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid.

Molecular Properties

• Compound Name: (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
• PubChem CID: 70619477
• Molecular Formula: C33H42O8
• Molecular Weight: 566.69 g/mol
• Exact Mass: 566.29
• IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid
• SMILES: O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C2(COc3ccc4ccccc4c3)OCCO2)[C@H](OC2CCCCO2)C[C@@H]1O
• InChI: InChI=1S/C33H42O8/c34-29-22-30(41-32-13-7-8-18-37-32)28(27(29)11-3-1-2-4-12-31(35)36)16-17-33(39-19-20-40-33)23-38-26-15-14-24-9-5-6-10-25(24)21-26/h1,3,5-6,9-10,14-17,21,27-30,32,34H,2,4,7-8,11-13,18-20,22-23H2,(H,35,36)/b3-1-,17-16+/t27-,28-,29+,30-,32?/m1/s1
• InChIKey: KNYQLRCVZPQCCW-DWOWCXIUSA-N
• XLogP: 5.63
• TPSA: 103.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.69
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?

The IUPAC name of (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid (CID 70619477) is (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid.

What is the SMILES notation for (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?

The canonical SMILES for (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C2(COc3ccc4ccccc4c3)OCCO2)[C@H](OC2CCCCO2)C[C@@H]1O.

What is the InChIKey of (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?

The InChIKey is KNYQLRCVZPQCCW-DWOWCXIUSA-N. The full InChI is InChI=1S/C33H42O8/c34-29-22-30(41-32-13-7-8-18-37-32)28(27(29)11-3-1-2-4-12-31(35)36)16-17-33(39-19-20-40-33)23-38-26-15-14-24-9-5-6-10-25(24)21-26/h1,3,5-6,9-10,14-17,21,27-30,32,34H,2,4,7-8,11-13,18-20,22-23H2,(H,35,36)/b3-1-,17-16+/t27-,28-,29+,30-,32?/m1/s1.

What are the key properties of (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid?

(Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid has a molecular weight of 566.69 g/mol, XLogP of 5.63, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E)-2-[2-(naphthalen-2-yloxymethyl)-1,3-dioxolan-2-yl]ethenyl]-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 70619477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).