(Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid

C26H45NO5 — CID 70549514

About (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid

(Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid (PubChem CID 70549514) has the molecular formula C26H45NO5 and a molecular weight of 451.65 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid.

Molecular Properties

• Compound Name: (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid
• PubChem CID: 70549514
• Molecular Formula: C26H45NO5
• Molecular Weight: 451.65 g/mol
• Exact Mass: 451.33
• IUPAC Name: (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid
• SMILES: CCCCCCCCCCO[C@H]1CC(=O)[C@H](N2CCOCC2)[C@H]1CC/C=C\CCC(=O)O
• InChI: InChI=1S/C26H45NO5/c1-2-3-4-5-6-7-10-13-18-32-24-21-23(28)26(27-16-19-31-20-17-27)22(24)14-11-8-9-12-15-25(29)30/h8-9,22,24,26H,2-7,10-21H2,1H3,(H,29,30)/b9-8-/t22-,24-,26+/m0/s1
• InChIKey: VSNXTLIAZPOZAD-JVAAPRNPSA-N
• XLogP: 5.00
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.65
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid?

The IUPAC name of (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid (CID 70549514) is (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid.

What is the SMILES notation for (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid?

The canonical SMILES for (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid is CCCCCCCCCCO[C@H]1CC(=O)[C@H](N2CCOCC2)[C@H]1CC/C=C\CCC(=O)O.

What is the InChIKey of (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid?

The InChIKey is VSNXTLIAZPOZAD-JVAAPRNPSA-N. The full InChI is InChI=1S/C26H45NO5/c1-2-3-4-5-6-7-10-13-18-32-24-21-23(28)26(27-16-19-31-20-17-27)22(24)14-11-8-9-12-15-25(29)30/h8-9,22,24,26H,2-7,10-21H2,1H3,(H,29,30)/b9-8-/t22-,24-,26+/m0/s1.

What are the key properties of (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid?

(Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid has a molecular weight of 451.65 g/mol, XLogP of 5.00, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-7-[(1R,2R,5S)-5-decoxy-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid is sourced from PubChem (CID 70549514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).