[(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium

C22H36O3P+ — CID 87559143

IUPAC[(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(CC)CO[P+](=O)O
InChIInChI=1S/C22H35O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4-2)21-25-26(23)24/h5-6,8-9,11-12,14-15,17-18,22H,3-4,7,10,13,16,19-21H2,1-2H3/p+1/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyNQJKCCQTQOWYIJ-AAQCHOMXSA-O
MW379.50 g/mol
LogP7.21
Rot. Bonds16

About [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium

[(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium (PubChem CID 87559143) has the molecular formula C22H36O3P+ and a molecular weight of 379.50 g/mol. Its IUPAC name is [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium
PubChem CID87559143
Molecular FormulaC22H36O3P+
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Name[(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(CC)CO[P+](=O)O
InChIInChI=1S/C22H35O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4-2)21-25-26(23)24/h5-6,8-9,11-12,14-15,17-18,22H,3-4,7,10,13,16,19-21H2,1-2H3/p+1/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyNQJKCCQTQOWYIJ-AAQCHOMXSA-O
XLogP7.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium with MolForge

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Launch Full Analysis

Related Compounds

2-ethyloct-5-en-1-ol
CID 54387692
[(5E,8E,11E,14E,17E)-2-ethyl-20-phosphonooxyicosa-5,8,11,14,17-pentaenyl] dihydrogen phosphate
CID 142700315
[(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienyl] 2,2-dimethylpropanoate
CID 59492262
(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
CID 175828480
2-ethylundeca-5,8-dienal
CID 140806984
(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
CID 10041487
docosa-4,8,12,15,19-pentaenal
CID 54481142
[(5E,8E,11E,14E,17E)-2-ethyl-1-hydroxyicosa-5,8,11,14,17-pentaenyl]phosphonic acid
CID 142701086
2-methanethioylicosa-5,8,11,14,17-pentaenoic acid
CID 123778500
ethyl 2-methylsulfanylicosa-5,8,11,14,17-pentaenoate
CID 72538142
ethyl 2-ethyldocosa-7,10,13,16,19-pentaenoate
CID 72538130
2,3-bis[[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 165308031

Frequently Asked Questions

What is the IUPAC name of [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium?
The IUPAC name of [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium (CID 87559143) is [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(CC)CO[P+](=O)O.
What is the InChIKey of [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium?
The InChIKey is NQJKCCQTQOWYIJ-AAQCHOMXSA-O. The full InChI is InChI=1S/C22H35O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4-2)21-25-26(23)24/h5-6,8-9,11-12,14-15,17-18,22H,3-4,7,10,13,16,19-21H2,1-2H3/p+1/b6-5-,9-8-,12-11-,15-14-,18-17-.
What are the key properties of [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium?
[(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium has a molecular weight of 379.50 g/mol, XLogP of 7.21, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,8Z,11Z,14Z,17Z)-2-ethylicosa-5,8,11,14,17-pentaenoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 87559143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).