ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate

C23H36O3 — CID 25122278

IUPACethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(OC)C(=O)OCC
InChIInChI=1S/C23H36O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25-3)23(24)26-5-2/h6-7,9-10,12-13,15-16,18-19,22H,4-5,8,11,14,17,20-21H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyCAWZWIWTWWLDCS-WMPRHZDHSA-N
MW360.54 g/mol
LogP6.10
Rot. Bonds15

About ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate

ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate (PubChem CID 25122278) has the molecular formula C23H36O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate.

Molecular Properties

Compound Nameethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate
PubChem CID25122278
Molecular FormulaC23H36O3
Molecular Weight360.54 g/mol
Exact Mass360.27
IUPAC Nameethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(OC)C(=O)OCC
InChIInChI=1S/C23H36O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25-3)23(24)26-5-2/h6-7,9-10,12-13,15-16,18-19,22H,4-5,8,11,14,17,20-21H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyCAWZWIWTWWLDCS-WMPRHZDHSA-N
XLogP6.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate?
The IUPAC name of ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate (CID 25122278) is ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate.
What is the SMILES notation for ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate?
The canonical SMILES for ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(OC)C(=O)OCC.
What is the InChIKey of ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate?
The InChIKey is CAWZWIWTWWLDCS-WMPRHZDHSA-N. The full InChI is InChI=1S/C23H36O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25-3)23(24)26-5-2/h6-7,9-10,12-13,15-16,18-19,22H,4-5,8,11,14,17,20-21H2,1-3H3/b7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate?
ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate has a molecular weight of 360.54 g/mol, XLogP of 6.10, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z,8Z,11Z,14Z,17Z)-2-methoxyicosa-5,8,11,14,17-pentaenoate is sourced from PubChem (CID 25122278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).