(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid

C21H34O2 — CID 10591671

IUPAC(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h7-8,10-11,13-14,16-17H,2-6,9,12,15,18-20H2,1H3,(H,22,23)/b8-7-,11-10-,14-13-,17-16-
InChIKeyXUTVYIBVBKBHHN-ZKWNWVNESA-N
MW318.50 g/mol
LogP6.61
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid

(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid (PubChem CID 10591671) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
PubChem CID10591671
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h7-8,10-11,13-14,16-17H,2-6,9,12,15,18-20H2,1H3,(H,22,23)/b8-7-,11-10-,14-13-,17-16-
InChIKeyXUTVYIBVBKBHHN-ZKWNWVNESA-N
XLogP6.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.61
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'}

Analyze (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid with MolForge

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Related Compounds

CID 87290377
CID 87290377
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
CID 161210613
(Z)-docos-13-enoic acid;(5E,8E,11E)-icosa-5,8,11-trienoic acid
CID 87638416
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
(8Z,11Z,14Z,17Z,20Z)-hexacosa-8,11,14,17,20-pentaenoic acid
CID 52921820
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
heptacosa-14,17-dienoic acid
CID 169276989
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid (CID 10591671) is (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid is CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid?
The InChIKey is XUTVYIBVBKBHHN-ZKWNWVNESA-N. The full InChI is InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h7-8,10-11,13-14,16-17H,2-6,9,12,15,18-20H2,1H3,(H,22,23)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid?
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid has a molecular weight of 318.50 g/mol, XLogP of 6.61, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 10591671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).