9-ethoxynonylphosphonic acid

C11H25O4P — CID 102391475

IUPAC9-ethoxynonylphosphonic acid
SMILESCCOCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C11H25O4P/c1-2-15-10-8-6-4-3-5-7-9-11-16(12,13)14/h2-11H2,1H3,(H2,12,13,14)
InChIKeyKSNQZCIEAAPZGJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.93
Rot. Bonds11

About 9-ethoxynonylphosphonic acid

9-ethoxynonylphosphonic acid (PubChem CID 102391475) has the molecular formula C11H25O4P and a molecular weight of 252.29 g/mol. Its IUPAC name is 9-ethoxynonylphosphonic acid.

Molecular Properties

Compound Name9-ethoxynonylphosphonic acid
PubChem CID102391475
Molecular FormulaC11H25O4P
Molecular Weight252.29 g/mol
Exact Mass252.15
IUPAC Name9-ethoxynonylphosphonic acid
SMILESCCOCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C11H25O4P/c1-2-15-10-8-6-4-3-5-7-9-11-16(12,13)14/h2-11H2,1H3,(H2,12,13,14)
InChIKeyKSNQZCIEAAPZGJ-UHFFFAOYSA-N
XLogP2.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.93
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

8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid
CID 123132067
3-propoxypropylphosphonic acid
CID 89355602
5-phosphonopentylphosphonic acid
CID 2773804
hexylphosphonic acid;octylphosphonic acid
CID 155346901
22-phosphonooxydocosylphosphonic acid
CID 87682579
39-phosphonooxynonatriacontylphosphonic acid
CID 87684793
CID 86733794
CID 86733794
octadecylphosphonic acid;zirconium
CID 87308115
dodecylphosphonic acid;phosphoric acid
CID 88779225
potassium;hexadecylphosphonic acid;hydride
CID 175356287
ethoxy-oxo-(3-phosphonopropoxy)phosphanium
CID 88773935
10-ethoxydecan-1-ol
CID 22412883

Frequently Asked Questions

What is the IUPAC name of 9-ethoxynonylphosphonic acid?
The IUPAC name of 9-ethoxynonylphosphonic acid (CID 102391475) is 9-ethoxynonylphosphonic acid.
What is the SMILES notation for 9-ethoxynonylphosphonic acid?
The canonical SMILES for 9-ethoxynonylphosphonic acid is CCOCCCCCCCCCP(=O)(O)O.
What is the InChIKey of 9-ethoxynonylphosphonic acid?
The InChIKey is KSNQZCIEAAPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O4P/c1-2-15-10-8-6-4-3-5-7-9-11-16(12,13)14/h2-11H2,1H3,(H2,12,13,14).
What are the key properties of 9-ethoxynonylphosphonic acid?
9-ethoxynonylphosphonic acid has a molecular weight of 252.29 g/mol, XLogP of 2.93, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxynonylphosphonic acid is sourced from PubChem (CID 102391475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).