(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid

C20H32O2 — CID 101342439

IUPAC(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C=[13CH]\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-/i10+1
InChIKeyYZXBAPSDXZZRGB-GJWFZPSTSA-N
MW305.47 g/mol
LogP6.22
Rot. Bonds14

About (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid

(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid (PubChem CID 101342439) has the molecular formula C20H32O2 and a molecular weight of 305.47 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
PubChem CID101342439
Molecular FormulaC20H32O2
Molecular Weight305.47 g/mol
Exact Mass305.24
IUPAC Name(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C=[13CH]\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-/i10+1
InChIKeyYZXBAPSDXZZRGB-GJWFZPSTSA-N
XLogP6.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 56.22
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)-(1113C)icosa-5,8,11,14-tetraenoic acid with MolForge

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Related Compounds

hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
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 (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid (CID 101342439) is (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid is CCCCC/C=C\C/C=[13CH]\C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid?
The InChIKey is YZXBAPSDXZZRGB-GJWFZPSTSA-N. The full InChI is InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-/i10+1.
What are the key properties of (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid?
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid has a molecular weight of 305.47 g/mol, XLogP of 6.22, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 101342439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).