(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

C22H33O2- — CID 40846589

IUPAC(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
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)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyYUFFSWGQGVEMMI-JLNKQSITSA-M
MW329.50 g/mol
LogP5.44
Rot. Bonds15

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

(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (PubChem CID 40846589) has the molecular formula C22H33O2- and a molecular weight of 329.50 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate.

Molecular Properties

Compound Name(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
PubChem CID40846589
Molecular FormulaC22H33O2-
Molecular Weight329.50 g/mol
Exact Mass329.25
IUPAC Name(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
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)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyYUFFSWGQGVEMMI-JLNKQSITSA-M
XLogP5.44
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.50
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentaenoate?
The IUPAC name of (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (CID 40846589) is (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate.
What is the SMILES notation for (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate?
The canonical SMILES for (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate 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-pentaenoate?
The InChIKey is YUFFSWGQGVEMMI-JLNKQSITSA-M. 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)/p-1/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-pentaenoate?
(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate has a molecular weight of 329.50 g/mol, XLogP of 5.44, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate is sourced from PubChem (CID 40846589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).