(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid

C22H34O2 — CID 5497182

IUPAC(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyYUFFSWGQGVEMMI-JLNKQSITSA-N
MW330.51 g/mol
LogP6.77
Rot. Bonds15

About (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid

(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid (PubChem CID 5497182) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid.

Molecular Properties

Compound Name(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid
PubChem CID5497182
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyYUFFSWGQGVEMMI-JLNKQSITSA-N
XLogP6.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid?
The IUPAC name of (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid (CID 5497182) is (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid.
What is the SMILES notation for (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid?
The canonical SMILES for (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O.
What is the InChIKey of (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid?
The InChIKey is YUFFSWGQGVEMMI-JLNKQSITSA-N. The full InChI is InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid?
(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid has a molecular weight of 330.51 g/mol, XLogP of 6.77, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid is sourced from PubChem (CID 5497182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).