(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid

C22H34O2 — CID 175828480

IUPAC(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
SMILESCCC=CCC=CCC=CCC=CC/C=C\CCC(CC)C(=O)O
InChIInChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(4-2)22(23)24/h5-6,8-9,11-12,14-15,17-18,21H,3-4,7,10,13,16,19-20H2,1-2H3,(H,23,24)/b6-5?,9-8?,12-11?,15-14?,18-17-
InChIKeyLNPJFFYITCWQDB-ZCFPAKLASA-N
MW330.51 g/mol
LogP6.63
Rot. Bonds14

About (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid

(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid (PubChem CID 175828480) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid.

Molecular Properties

Compound Name(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
PubChem CID175828480
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
SMILESCCC=CCC=CCC=CCC=CC/C=C\CCC(CC)C(=O)O
InChIInChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(4-2)22(23)24/h5-6,8-9,11-12,14-15,17-18,21H,3-4,7,10,13,16,19-20H2,1-2H3,(H,23,24)/b6-5?,9-8?,12-11?,15-14?,18-17-
InChIKeyLNPJFFYITCWQDB-ZCFPAKLASA-N
XLogP6.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(9E,12E,15E)-2-ethyloctadeca-9,12,15-trienoic acid
CID 22321183
2-(chloromethyl)icosa-5,8,11,14,17-pentaenoic acid
CID 54255147
(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
CID 10041487
2-ethylundec-5-enoic acid
CID 169209777
(5Z,8Z,11Z)-2-hexadeca-7,10,13-trienylicosa-5,8,11-trienedioic acid
CID 87316349
2-methanethioylicosa-5,8,11,14,17-pentaenoic acid
CID 123778500
2-dodecyloctadeca-9,12,15-trienoic acid
CID 54256759
(E)-2-ethyl-6-(methylamino)hex-5-enoic acid
CID 173483010
2-(2-methylpropyl)octadeca-9,12,15-trienoic acid
CID 91105284
ethyl 2-ethyldocosa-7,10,13,16,19-pentaenoate
CID 72538130
(9Z,12Z,15Z)-2-(2-ethylhexyl)octadeca-9,12,15-trienoic acid
CID 87559668
2-[(Z)-but-1-enyl]oct-5-enoic acid
CID 174237174

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid?
The IUPAC name of (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid (CID 175828480) is (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid.
What is the SMILES notation for (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid?
The canonical SMILES for (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid is CCC=CCC=CCC=CCC=CC/C=C\CCC(CC)C(=O)O.
What is the InChIKey of (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid?
The InChIKey is LNPJFFYITCWQDB-ZCFPAKLASA-N. The full InChI is InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(4-2)22(23)24/h5-6,8-9,11-12,14-15,17-18,21H,3-4,7,10,13,16,19-20H2,1-2H3,(H,23,24)/b6-5?,9-8?,12-11?,15-14?,18-17-.
What are the key properties of (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid?
(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid has a molecular weight of 330.51 g/mol, XLogP of 6.63, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid is sourced from PubChem (CID 175828480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).