20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid

C21H37O4P — CID 90787861

IUPAC20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid
SMILESCOCCCCCC=CCC=CCC=CCC=CCCCCP(=O)(O)O
InChIInChI=1S/C21H37O4P/c1-25-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-26(22,23)24/h2,4-5,7-8,10-11,13H,3,6,9,12,14-21H2,1H3,(H2,22,23,24)
InChIKeyZMGOSOUNSHYDHW-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.94
Rot. Bonds17

About 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid

20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid (PubChem CID 90787861) has the molecular formula C21H37O4P and a molecular weight of 384.50 g/mol. Its IUPAC name is 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid.

Molecular Properties

Compound Name20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid
PubChem CID90787861
Molecular FormulaC21H37O4P
Molecular Weight384.50 g/mol
Exact Mass384.24
IUPAC Name20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid
SMILESCOCCCCCC=CCC=CCC=CCC=CCCCCP(=O)(O)O
InChIInChI=1S/C21H37O4P/c1-25-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-26(22,23)24/h2,4-5,7-8,10-11,13H,3,6,9,12,14-21H2,1H3,(H2,22,23,24)
InChIKeyZMGOSOUNSHYDHW-UHFFFAOYSA-N
XLogP5.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid
CID 123132067
(Z)-22-methoxydocos-9-ene
CID 139489496
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
(E)-12-methoxydodec-2-enoic acid
CID 6473877
9-ethoxynonylphosphonic acid
CID 102391475
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
methyl octadec-9-enyl hydrogen phosphate
CID 90872406
dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane
CID 76673105
[(Z)-hexadec-9-enyl] dihydrogen phosphate
CID 122597985
2-[11-[10-[hydroxy-[(9Z,12Z)-octadeca-9,12-dienyl]amino]decanoyloxy]undecyl-[(Z)-octadec-9-enyl]amino]ethylphosphonic acid
CID 171586219
bis(docosa-7,10,13,16,19-pentaenyl) carbonate
CID 173337934
11-(2-bromo-2-methylpropanoyl)oxyundecylphosphonic acid
CID 59562089

Frequently Asked Questions

What is the IUPAC name of 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid?
The IUPAC name of 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid (CID 90787861) is 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid.
What is the SMILES notation for 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid?
The canonical SMILES for 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid is COCCCCCC=CCC=CCC=CCC=CCCCCP(=O)(O)O.
What is the InChIKey of 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid?
The InChIKey is ZMGOSOUNSHYDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37O4P/c1-25-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-26(22,23)24/h2,4-5,7-8,10-11,13H,3,6,9,12,14-21H2,1H3,(H2,22,23,24).
What are the key properties of 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid?
20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid has a molecular weight of 384.50 g/mol, XLogP of 5.94, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid is sourced from PubChem (CID 90787861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).