(10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid

C48H82O4 — CID 138202326

About (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid

(10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid (PubChem CID 138202326) has the molecular formula C48H82O4 and a molecular weight of 723.18 g/mol. Its IUPAC name is (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid.

Molecular Properties

• Compound Name: (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid
• PubChem CID: 138202326
• Molecular Formula: C48H82O4
• Molecular Weight: 723.18 g/mol
• Exact Mass: 722.62
• IUPAC Name: (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C(CCCCCCCC(=O)O)OC(=O)CCCCCCCCCCCCC/C=C\C/C=C\CCCCCCC
• InChI: InChI=1S/C48H82O4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-37-41-45-48(51)52-46(43-39-35-33-36-40-44-47(49)50)42-38-34-31-29-27-14-12-10-8-6-4-2/h6,8,12,14-16,18-19,29,31,38,42,46H,3-5,7,9-11,13,17,20-28,30,32-37,39-41,43-45H2,1-2H3,(H,49,50)/b8-6-,14-12-,16-15-,19-18-,31-29-,42-38-
• InChIKey: LINKXOHGKXHBCM-PLAPXXBNSA-N
• XLogP: 15.45
• TPSA: 63.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 39
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.18
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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 (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid?

The IUPAC name of (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid (CID 138202326) is (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid.

What is the SMILES notation for (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid?

The canonical SMILES for (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C(CCCCCCCC(=O)O)OC(=O)CCCCCCCCCCCCC/C=C\C/C=C\CCCCCCC.

What is the InChIKey of (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid?

The InChIKey is LINKXOHGKXHBCM-PLAPXXBNSA-N. The full InChI is InChI=1S/C48H82O4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-37-41-45-48(51)52-46(43-39-35-33-36-40-44-47(49)50)42-38-34-31-29-27-14-12-10-8-6-4-2/h6,8,12,14-16,18-19,29,31,38,42,46H,3-5,7,9-11,13,17,20-28,30,32-37,39-41,43-45H2,1-2H3,(H,49,50)/b8-6-,14-12-,16-15-,19-18-,31-29-,42-38-.

What are the key properties of (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid?

(10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid has a molecular weight of 723.18 g/mol, XLogP of 15.45, 39 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid is sourced from PubChem (CID 138202326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).