(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid

C22H34O2 — CID 122652097

IUPAC(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid
SMILESCC/C=C\C/C=C\C/C=C/C/C=C\CCCCCCC=CC(=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/h3-4,6-7,9-10,12-13,20-21H,2,5,8,11,14-19H2,1H3,(H,23,24)/b4-3-,7-6-,10-9+,13-12-,21-20?
InChIKeyDXKZDCKJJWPBFL-CRWKHUMOSA-N
MW330.51 g/mol
LogP6.77
Rot. Bonds15

About (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid

(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid (PubChem CID 122652097) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid.

Molecular Properties

Compound Name(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid
PubChem CID122652097
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid
SMILESCC/C=C\C/C=C\C/C=C/C/C=C\CCCCCCC=CC(=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/h3-4,6-7,9-10,12-13,20-21H,2,5,8,11,14-19H2,1H3,(H,23,24)/b4-3-,7-6-,10-9+,13-12-,21-20?
InChIKeyDXKZDCKJJWPBFL-CRWKHUMOSA-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid with MolForge

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Related Compounds

icosa-2,17-dienoic acid
CID 173056389
undeca-2,8-dienoic acid
CID 86068100
(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
CID 131839761
icosa-2,12-dienoic acid
CID 174301675
icosa-2,11-dienoic acid
CID 54537818
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855
hexadeca-2,4,13-trienoic acid
CID 173094615
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814

Frequently Asked Questions

What is the IUPAC name of (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid?
The IUPAC name of (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid (CID 122652097) is (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid.
What is the SMILES notation for (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid?
The canonical SMILES for (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid is CC/C=C\C/C=C\C/C=C/C/C=C\CCCCCCC=CC(=O)O.
What is the InChIKey of (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid?
The InChIKey is DXKZDCKJJWPBFL-CRWKHUMOSA-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/h3-4,6-7,9-10,12-13,20-21H,2,5,8,11,14-19H2,1H3,(H,23,24)/b4-3-,7-6-,10-9+,13-12-,21-20?.
What are the key properties of (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid?
(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-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 (10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid is sourced from PubChem (CID 122652097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).