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

C24H38O2 — CID 25121912

IUPACethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)OCC
InChIInChI=1S/C24H38O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(3,4)23(25)26-6-2/h7-8,10-11,13-14,16-17,19-20H,5-6,9,12,15,18,21-22H2,1-4H3/b8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyFVJMJOSAOINYAJ-NEUKSRIFSA-N
MW358.57 g/mol
LogP7.11
Rot. Bonds14

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

ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate (PubChem CID 25121912) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate.

Molecular Properties

Compound Nameethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate
PubChem CID25121912
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Nameethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)OCC
InChIInChI=1S/C24H38O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(3,4)23(25)26-6-2/h7-8,10-11,13-14,16-17,19-20H,5-6,9,12,15,18,21-22H2,1-4H3/b8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyFVJMJOSAOINYAJ-NEUKSRIFSA-N
XLogP7.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate?
The IUPAC name of ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate (CID 25121912) is ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate.
What is the SMILES notation for ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate?
The canonical SMILES for ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)OCC.
What is the InChIKey of ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate?
The InChIKey is FVJMJOSAOINYAJ-NEUKSRIFSA-N. The full InChI is InChI=1S/C24H38O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(3,4)23(25)26-6-2/h7-8,10-11,13-14,16-17,19-20H,5-6,9,12,15,18,21-22H2,1-4H3/b8-7-,11-10-,14-13-,17-16-,20-19-.
What are the key properties of ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate?
ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate has a molecular weight of 358.57 g/mol, XLogP of 7.11, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z,8Z,11Z,14Z,17Z)-2,2-dimethylicosa-5,8,11,14,17-pentaenoate is sourced from PubChem (CID 25121912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).