8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid

C15H33O7P — CID 123132067

IUPAC8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid
SMILESCOCCOCCOCCOCCCCCCCCP(=O)(O)O
InChIInChI=1S/C15H33O7P/c1-19-9-10-21-13-14-22-12-11-20-8-6-4-2-3-5-7-15-23(16,17)18/h2-15H2,1H3,(H2,16,17,18)
InChIKeyJNQSHEHZCLMYKY-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.20
Rot. Bonds18

About 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid

8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid (PubChem CID 123132067) has the molecular formula C15H33O7P and a molecular weight of 356.40 g/mol. Its IUPAC name is 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid.

Molecular Properties

Compound Name8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid
PubChem CID123132067
Molecular FormulaC15H33O7P
Molecular Weight356.40 g/mol
Exact Mass356.20
IUPAC Name8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid
SMILESCOCCOCCOCCOCCCCCCCCP(=O)(O)O
InChIInChI=1S/C15H33O7P/c1-19-9-10-21-13-14-22-12-11-20-8-6-4-2-3-5-7-15-23(16,17)18/h2-15H2,1H3,(H2,16,17,18)
InChIKeyJNQSHEHZCLMYKY-UHFFFAOYSA-N
XLogP2.20
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-ethoxynonylphosphonic acid
CID 102391475
1,8-bis(2-methoxyethoxy)octane
CID 143118909
methoxy-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]phosphinic acid
CID 161196889
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
3-propoxypropylphosphonic acid
CID 89355602
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
20-methoxyicosa-5,8,11,14-tetraenylphosphonic acid
CID 90787861
22-phosphonooxydocosylphosphonic acid
CID 87682579
39-phosphonooxynonatriacontylphosphonic acid
CID 87684793
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid?
The IUPAC name of 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid (CID 123132067) is 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid.
What is the SMILES notation for 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid?
The canonical SMILES for 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid is COCCOCCOCCOCCCCCCCCP(=O)(O)O.
What is the InChIKey of 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid?
The InChIKey is JNQSHEHZCLMYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O7P/c1-19-9-10-21-13-14-22-12-11-20-8-6-4-2-3-5-7-15-23(16,17)18/h2-15H2,1H3,(H2,16,17,18).
What are the key properties of 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid?
8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid has a molecular weight of 356.40 g/mol, XLogP of 2.20, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid is sourced from PubChem (CID 123132067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).