ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate

C24H38O2S — CID 59187798

IUPACethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(SCC)C(=O)OCC
InChIInChI=1S/C24H38O2S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(27-6-3)24(25)26-5-2/h7-8,10-11,13-14,16-17,20-21,23H,4-6,9,12,15,18-19,22H2,1-3H3/b8-7-,11-10-,14-13-,17-16-,21-20+
InChIKeyNPTZSZLWCZUKJO-FZDJQYMKSA-N
MW390.63 g/mol
LogP7.20
Rot. Bonds16

About ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate

ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate (PubChem CID 59187798) has the molecular formula C24H38O2S and a molecular weight of 390.63 g/mol. Its IUPAC name is ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate.

Molecular Properties

Compound Nameethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate
PubChem CID59187798
Molecular FormulaC24H38O2S
Molecular Weight390.63 g/mol
Exact Mass390.26
IUPAC Nameethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(SCC)C(=O)OCC
InChIInChI=1S/C24H38O2S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(27-6-3)24(25)26-5-2/h7-8,10-11,13-14,16-17,20-21,23H,4-6,9,12,15,18-19,22H2,1-3H3/b8-7-,11-10-,14-13-,17-16-,21-20+
InChIKeyNPTZSZLWCZUKJO-FZDJQYMKSA-N
XLogP7.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.63
LogP ≤ 57.20
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'}

Analyze ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4E,7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaenoate
CID 59187756
ethyl (4E,8Z,11Z,14Z,17Z)-2-propylicosa-4,8,11,14,17-pentaenoate
CID 59187782
ethyl 2-methylsulfanylicosa-5,8,11,14,17-pentaenoate
CID 72538142
ethyl 2-propoxyicosa-4,8,11,14,17-pentaenoate
CID 72538088
ethyl 2-propylsulfanyldocosa-7,10,13,16,19-pentaenoate
CID 72538144
ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101
ethyl (7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-7,10,13,16,19-pentaenoate
CID 59187788
ethyl (2E,4E,8Z,11Z,14Z,17Z)-icosa-2,4,8,11,14,17-hexaenoate
CID 25010677
ethyl 2-methylsulfinyldocosa-4,7,10,13,16,19-hexaenoate
CID 76587937
ethyl (4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate
CID 53249755
ethyl 2-ethyldocosa-7,10,13,16,19-pentaenoate
CID 72538130
ethyl 2-propyloct-5-enoate
CID 140550038

Frequently Asked Questions

What is the IUPAC name of ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate?
The IUPAC name of ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate (CID 59187798) is ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate.
What is the SMILES notation for ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate?
The canonical SMILES for ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(SCC)C(=O)OCC.
What is the InChIKey of ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate?
The InChIKey is NPTZSZLWCZUKJO-FZDJQYMKSA-N. The full InChI is InChI=1S/C24H38O2S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(27-6-3)24(25)26-5-2/h7-8,10-11,13-14,16-17,20-21,23H,4-6,9,12,15,18-19,22H2,1-3H3/b8-7-,11-10-,14-13-,17-16-,21-20+.
What are the key properties of ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate?
ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate has a molecular weight of 390.63 g/mol, XLogP of 7.20, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate is sourced from PubChem (CID 59187798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).