[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate

C65H106O6 — CID 165276260

About [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate

[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate (PubChem CID 165276260) has the molecular formula C65H106O6 and a molecular weight of 983.56 g/mol. Its IUPAC name is [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate.

Molecular Properties

• Compound Name: [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate
• PubChem CID: 165276260
• Molecular Formula: C65H106O6
• Molecular Weight: 983.56 g/mol
• Exact Mass: 982.80
• IUPAC Name: [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate
• SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
• InChI: InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-31,39,42,48,51,62H,4-6,8,11,13-15,22-24,29,32-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,27-25-,28-26-,31-30-,42-39-,51-48-
• InChIKey: PQHUHRYPURLLBU-NJWUJNDQSA-N
• XLogP: 19.65
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 51
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.56
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate?

The IUPAC name of [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate (CID 165276260) is [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate.

What is the SMILES notation for [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate?

The canonical SMILES for [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate is CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC.

What is the InChIKey of [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate?

The InChIKey is PQHUHRYPURLLBU-NJWUJNDQSA-N. The full InChI is InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-36-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-28-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-28,30-31,39,42,48,51,62H,4-6,8,11,13-15,22-24,29,32-38,40-41,43-47,49-50,52-61H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,27-25-,28-26-,31-30-,42-39-,51-48-.

What are the key properties of [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate?

[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate has a molecular weight of 983.56 g/mol, XLogP of 19.65, 51 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate is sourced from PubChem (CID 165276260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).