(11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid

C38H68O4 — CID 138183743

IUPAC(11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid
SMILESCCCCC/C=C\C/C=C\C(CCCCCCCCC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C38H68O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-27-31-35-38(41)42-36(32-28-24-20-12-10-8-6-4-2)33-29-25-22-23-26-30-34-37(39)40/h12,15-16,20,28,32,36H,3-11,13-14,17-19,21-27,29-31,33-35H2,1-2H3,(H,39,40)/b16-15-,20-12-,32-28-
InChIKeyJCSIXDDZIPRNLF-OXKNCCIJSA-N
MW588.96 g/mol
LogP12.22
Rot. Bonds32

About (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid

(11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid (PubChem CID 138183743) has the molecular formula C38H68O4 and a molecular weight of 588.96 g/mol. Its IUPAC name is (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid.

Molecular Properties

Compound Name(11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid
PubChem CID138183743
Molecular FormulaC38H68O4
Molecular Weight588.96 g/mol
Exact Mass588.51
IUPAC Name(11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid
SMILESCCCCC/C=C\C/C=C\C(CCCCCCCCC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C38H68O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-27-31-35-38(41)42-36(32-28-24-20-12-10-8-6-4-2)33-29-25-22-23-26-30-34-37(39)40/h12,15-16,20,28,32,36H,3-11,13-14,17-19,21-27,29-31,33-35H2,1-2H3,(H,39,40)/b16-15-,20-12-,32-28-
InChIKeyJCSIXDDZIPRNLF-OXKNCCIJSA-N
XLogP12.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.96
LogP ≤ 512.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid with MolForge

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Related Compounds

(9Z,12Z)-8-heptanoyloxynonadeca-9,12-dienoic acid
CID 138202238
(11Z,14Z)-10-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxyicosa-11,14-dienoic acid
CID 138132427
(9Z,12Z)-8-tetracosanoyloxynonadeca-9,12-dienoic acid
CID 138227025
(9Z,12Z)-8-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxyoctadeca-9,12-dienoic acid
CID 138201815
(9Z,12Z)-8-tetradecanoyloxynonadeca-9,12-dienoic acid
CID 138226785
(11Z,14Z)-10-[(Z)-tetracos-13-enoyl]oxyicosa-11,14-dienoic acid
CID 138311912
(10Z,13Z,16Z)-9-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxydocosa-10,13,16-trienoic acid
CID 138117892
(11Z,14Z)-10-octadecanoyloxyhenicosa-11,14-dienoic acid
CID 138161589
(11Z,14Z)-10-icosanoyloxyhenicosa-11,14-dienoic acid
CID 138170393
(10Z,13Z,16Z)-9-tridecanoyloxydocosa-10,13,16-trienoic acid
CID 138150019
(9Z,12Z)-8-[(11Z,14Z)-henicosa-11,14-dienoyl]oxynonadeca-9,12-dienoic acid
CID 138238510
(9Z,12Z)-8-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxyoctadeca-9,12-dienoic acid
CID 138195780

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid?
The IUPAC name of (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid (CID 138183743) is (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid.
What is the SMILES notation for (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid?
The canonical SMILES for (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid is CCCCC/C=C\C/C=C\C(CCCCCCCCC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid?
The InChIKey is JCSIXDDZIPRNLF-OXKNCCIJSA-N. The full InChI is InChI=1S/C38H68O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-27-31-35-38(41)42-36(32-28-24-20-12-10-8-6-4-2)33-29-25-22-23-26-30-34-37(39)40/h12,15-16,20,28,32,36H,3-11,13-14,17-19,21-27,29-31,33-35H2,1-2H3,(H,39,40)/b16-15-,20-12-,32-28-.
What are the key properties of (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid?
(11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid has a molecular weight of 588.96 g/mol, XLogP of 12.22, 32 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z)-10-[(Z)-octadec-9-enoyl]oxyicosa-11,14-dienoic acid is sourced from PubChem (CID 138183743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).