(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid

C219H392O20 — CID 162003744

About (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid

(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid (PubChem CID 162003744) has the molecular formula C219H392O20 and a molecular weight of 3345.52 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid.

Molecular Properties

• Compound Name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid
• PubChem CID: 162003744
• Molecular Formula: C219H392O20
• Molecular Weight: 3345.52 g/mol
• Exact Mass: 3342.97
• IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCCC(C)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C38H70.C27H44O2.C22H32O2.C18H36O2.C18H34O2.C18H32O2.2C18H30O2.C16H32O2.C14H28O2.C12H24O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-22(2)12-9-15-25(5)18-10-16-23(3)13-7-8-14-24(4)17-11-19-26(6)20-21-27(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h12-15,18-21,38H,4-11,16-17,22-37H2,1-3H3;12-14,18-19H,7-11,15-17,20-21H2,1-6H3,(H,28,29);3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20);3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);2-13H2,1H3,(H,15,16);2-11H2,1H3,(H,13,14)/b14-12-,15-13-,20-18-,21-19-;23-13+,24-14+,25-18+,26-19+;4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;;10-9-;7-6-,10-9-;7-6-,10-9-,13-12-;4-3-,7-6-,10-9-
• InChIKey: YSNZVHBMSNBBMQ-SIKOOTBRSA-N
• XLogP: 73.26
• TPSA: 373.00 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 166
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3345.52
LogP ≤ 5	73.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

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 (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid?

The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid (CID 162003744) is (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid.

What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid?

The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCCC(C)CCCCCCCC/C=C\C/C=C\CCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.

What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid?

The InChIKey is YSNZVHBMSNBBMQ-SIKOOTBRSA-N. The full InChI is InChI=1S/C38H70.C27H44O2.C22H32O2.C18H36O2.C18H34O2.C18H32O2.2C18H30O2.C16H32O2.C14H28O2.C12H24O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-22(2)12-9-15-25(5)18-10-16-23(3)13-7-8-14-24(4)17-11-19-26(6)20-21-27(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h12-15,18-21,38H,4-11,16-17,22-37H2,1-3H3;12-14,18-19H,7-11,15-17,20-21H2,1-6H3,(H,28,29);3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24);2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20);3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);2-13H2,1H3,(H,15,16);2-11H2,1H3,(H,13,14)/b14-12-,15-13-,20-18-,21-19-;23-13+,24-14+,25-18+,26-19+;4-3-,7-6-,10-9-,13-12-,16-15-,19-18-;;10-9-;7-6-,10-9-;7-6-,10-9-,13-12-;4-3-,7-6-,10-9-;;;.

What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid?

(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid has a molecular weight of 3345.52 g/mol, XLogP of 73.26, 166 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;dodecanoic acid;hexadecanoic acid;(6Z,9Z,28Z,31Z)-19-methylheptatriaconta-6,9,28,31-tetraene;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;(Z)-octadec-9-enoic acid;(4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid;tetradecanoic acid is sourced from PubChem (CID 162003744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).