methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate

C23H36O4 — CID 53253746

IUPACmethyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate
SMILESCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCOC(C)=O
InChIInChI=1S/C23H36O4/c1-22(24)27-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-23(25)26-2/h3,5-6,8-9,11-12,14H,4,7,10,13,15-21H2,1-2H3/b5-3-,8-6-,11-9-,14-12-
InChIKeyNIZDLUGDCOSQGV-JPURVOHMSA-N
MW376.54 g/mol
LogP5.85
Rot. Bonds16

About methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate

methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate (PubChem CID 53253746) has the molecular formula C23H36O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Namemethyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate
PubChem CID53253746
Molecular FormulaC23H36O4
Molecular Weight376.54 g/mol
Exact Mass376.26
IUPAC Namemethyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate
SMILESCOC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCOC(C)=O
InChIInChI=1S/C23H36O4/c1-22(24)27-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-23(25)26-2/h3,5-6,8-9,11-12,14H,4,7,10,13,15-21H2,1-2H3/b5-3-,8-6-,11-9-,14-12-
InChIKeyNIZDLUGDCOSQGV-JPURVOHMSA-N
XLogP5.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate with MolForge

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Related Compounds

20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
[(8Z,11Z)-tetradeca-8,11-dienyl] acetate
CID 86752265
methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate
CID 10449696
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
[(9E,12E)-octadeca-9,12-dienyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 91750339
henicosyl icosa-5,8,11,14-tetraenoate
CID 174050726
octyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 6437641
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
dimethyl (E)-triacont-15-enedioate
CID 10767955

Frequently Asked Questions

What is the IUPAC name of methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate?
The IUPAC name of methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate (CID 53253746) is methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate.
What is the SMILES notation for methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate?
The canonical SMILES for methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate is COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCOC(C)=O.
What is the InChIKey of methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate?
The InChIKey is NIZDLUGDCOSQGV-JPURVOHMSA-N. The full InChI is InChI=1S/C23H36O4/c1-22(24)27-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-23(25)26-2/h3,5-6,8-9,11-12,14H,4,7,10,13,15-21H2,1-2H3/b5-3-,8-6-,11-9-,14-12-.
What are the key properties of methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate?
methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate has a molecular weight of 376.54 g/mol, XLogP of 5.85, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z,8Z,11Z,14Z)-20-acetyloxyicosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 53253746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).