1-ethoxyoctylphosphonic acid

C10H23O4P — CID 87594150

IUPAC1-ethoxyoctylphosphonic acid
SMILESCCCCCCCC(OCC)P(=O)(O)O
InChIInChI=1S/C10H23O4P/c1-3-5-6-7-8-9-10(14-4-2)15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyQFXUQCORJZBPBN-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.89
Rot. Bonds9

About 1-ethoxyoctylphosphonic acid

1-ethoxyoctylphosphonic acid (PubChem CID 87594150) has the molecular formula C10H23O4P and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-ethoxyoctylphosphonic acid.

Molecular Properties

Compound Name1-ethoxyoctylphosphonic acid
PubChem CID87594150
Molecular FormulaC10H23O4P
Molecular Weight238.26 g/mol
Exact Mass238.13
IUPAC Name1-ethoxyoctylphosphonic acid
SMILESCCCCCCCC(OCC)P(=O)(O)O
InChIInChI=1S/C10H23O4P/c1-3-5-6-7-8-9-10(14-4-2)15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKeyQFXUQCORJZBPBN-UHFFFAOYSA-N
XLogP2.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phosphonododecylphosphonic acid
CID 6454178
1-phosphonoicosylphosphonic acid
CID 139609780
1-phenoxypentadecylphosphonic acid
CID 118692933
heptadecan-2-ylphosphonic acid
CID 86620819
hexatriacontan-18-ylphosphonic acid;neodymium
CID 159988610
decan-2-ylphosphonic acid
CID 22076607
octan-2-ylphosphonic acid
CID 18365588
nonan-3-ylphosphonic acid
CID 151472369
dodecane;phosphoric acid
CID 88801558
1-[hydroxy(methyl)phosphoryl]undecylphosphonic acid
CID 21054126
pentadecan-6-yl dihydrogen phosphate
CID 22719349
7,9-dimethylpentadecan-8-ylphosphonic acid
CID 54001139

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyoctylphosphonic acid?
The IUPAC name of 1-ethoxyoctylphosphonic acid (CID 87594150) is 1-ethoxyoctylphosphonic acid.
What is the SMILES notation for 1-ethoxyoctylphosphonic acid?
The canonical SMILES for 1-ethoxyoctylphosphonic acid is CCCCCCCC(OCC)P(=O)(O)O.
What is the InChIKey of 1-ethoxyoctylphosphonic acid?
The InChIKey is QFXUQCORJZBPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P/c1-3-5-6-7-8-9-10(14-4-2)15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-ethoxyoctylphosphonic acid?
1-ethoxyoctylphosphonic acid has a molecular weight of 238.26 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyoctylphosphonic acid is sourced from PubChem (CID 87594150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).