oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

C23H36O3 — CID 11164295

IUPACoxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC1CO1
InChIInChI=1S/C23H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)26-21-22-20-25-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyACYNJBAUKQMZDF-DOFZRALJSA-N
MW360.54 g/mol
LogP6.07
Rot. Bonds16

About oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (PubChem CID 11164295) has the molecular formula C23H36O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
PubChem CID11164295
Molecular FormulaC23H36O3
Molecular Weight360.54 g/mol
Exact Mass360.27
IUPAC Nameoxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC1CO1
InChIInChI=1S/C23H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)26-21-22-20-25-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyACYNJBAUKQMZDF-DOFZRALJSA-N
XLogP6.07
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 56.07
H-Bond Donors ≤ 50
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Arachidonylglycerol
CID 5282280
(2S)-2,3-Dihydroxypropyl (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate
CID 16019980
Ethyl arachidonate
CID 5367369
8,9-Epoxyeicosatrienoic acid
CID 5283203
1-Monoarachidin
CID 5282281
11,12-Eet
CID 5283204
11S,12R-EpETrE
CID 40490664
3-Arachidonoyl-sn-glycerol
CID 40490622
17(18)-EpETE
CID 16061089
14(15)-EpETE
CID 16061088
17R,18S-EpETE
CID 5282277
Glycidyl oleate
CID 5354568

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The IUPAC name of oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (CID 11164295) is oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.
What is the SMILES notation for oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The canonical SMILES for oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The InChIKey is ACYNJBAUKQMZDF-DOFZRALJSA-N. The full InChI is InChI=1S/C23H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)26-21-22-20-25-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate has a molecular weight of 360.54 g/mol, XLogP of 6.07, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 11164295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).