hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid

C20H34O4 — CID 173088002

IUPAChydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)O.OO
InChIInChI=1S/C20H32O2.H2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1-2H
InChIKeyZEDHCYYJFICLPC-UHFFFAOYSA-N
MW338.49 g/mol
LogP6.23
Rot. Bonds14

About hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid

hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid (PubChem CID 173088002) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Namehydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
PubChem CID173088002
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Namehydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)O.OO
InChIInChI=1S/C20H32O2.H2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1-2H
InChIKeyZEDHCYYJFICLPC-UHFFFAOYSA-N
XLogP6.23
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(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
octadeca-5,8,12-trienoic acid
CID 173410931
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
CID 87290377
CID 87290377
potassium;hydride;icosa-5,8,11,14-tetraenoic acid
CID 173062804
(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
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid?
The IUPAC name of hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid (CID 173088002) is hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid is CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.OO.
What is the InChIKey of hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid?
The InChIKey is ZEDHCYYJFICLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2.H2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1-2H.
What are the key properties of hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid?
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid has a molecular weight of 338.49 g/mol, XLogP of 6.23, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 173088002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).