(5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid

C22H38O4 — CID 11100651

IUPAC(5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\CC[C@H](CCCC(=O)O)OCOC
InChIInChI=1S/C22H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21(26-20-25-2)18-16-19-22(23)24/h7-8,10-11,13-14,21H,3-6,9,12,15-20H2,1-2H3,(H,23,24)/b8-7-,11-10-,14-13-/t21-/m1/s1
InChIKeyCKFYUAISNPUPGB-SGPMWKSLSA-N
MW366.54 g/mol
LogP6.04
Rot. Bonds18

About (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid

(5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid (PubChem CID 11100651) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid.

Molecular Properties

Compound Name(5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid
PubChem CID11100651
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name(5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\CC[C@H](CCCC(=O)O)OCOC
InChIInChI=1S/C22H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21(26-20-25-2)18-16-19-22(23)24/h7-8,10-11,13-14,21H,3-6,9,12,15-20H2,1-2H3,(H,23,24)/b8-7-,11-10-,14-13-/t21-/m1/s1
InChIKeyCKFYUAISNPUPGB-SGPMWKSLSA-N
XLogP6.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid with MolForge

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Related Compounds

5-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyicosanoic acid
CID 134721065
5-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxyicosanoic acid
CID 134756014
5-[(9Z,12Z)-octadeca-9,12-dienoyl]oxytetradecanoic acid
CID 134752196
5-[(9Z,15Z,18Z)-tetracosa-9,15,18-trienoyl]oxypentadecanoic acid
CID 134781541
5-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyoctadecanoic acid
CID 134745298
5-[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl]oxyhexadecanoic acid
CID 134784554
5-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxyoctadecanoic acid
CID 134721449
tetracosa-6,9,12,15,18-pentaenoic acid
CID 72731988
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670

Frequently Asked Questions

What is the IUPAC name of (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid?
The IUPAC name of (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid (CID 11100651) is (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid.
What is the SMILES notation for (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid?
The canonical SMILES for (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid is CCCCC/C=C\C/C=C\C/C=C\CC[C@H](CCCC(=O)O)OCOC.
What is the InChIKey of (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid?
The InChIKey is CKFYUAISNPUPGB-SGPMWKSLSA-N. The full InChI is InChI=1S/C22H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21(26-20-25-2)18-16-19-22(23)24/h7-8,10-11,13-14,21H,3-6,9,12,15-20H2,1-2H3,(H,23,24)/b8-7-,11-10-,14-13-/t21-/m1/s1.
What are the key properties of (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid?
(5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid has a molecular weight of 366.54 g/mol, XLogP of 6.04, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoic acid is sourced from PubChem (CID 11100651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).