ethoxyethane;2-ethyl-2-phosphonobutanoic acid

C10H23O6P — CID 86749295

IUPACethoxyethane;2-ethyl-2-phosphonobutanoic acid
SMILESCCC(CC)(C(=O)O)P(=O)(O)O.CCOCC
InChIInChI=1S/C6H13O5P.C4H10O/c1-3-6(4-2,5(7)8)12(9,10)11;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8)(H2,9,10,11);3-4H2,1-2H3
InChIKeyPIJJNXWGJMEQHI-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.85
Rot. Bonds6

About ethoxyethane;2-ethyl-2-phosphonobutanoic acid

ethoxyethane;2-ethyl-2-phosphonobutanoic acid (PubChem CID 86749295) has the molecular formula C10H23O6P and a molecular weight of 270.26 g/mol. Its IUPAC name is ethoxyethane;2-ethyl-2-phosphonobutanoic acid.

Molecular Properties

Compound Nameethoxyethane;2-ethyl-2-phosphonobutanoic acid
PubChem CID86749295
Molecular FormulaC10H23O6P
Molecular Weight270.26 g/mol
Exact Mass270.12
IUPAC Nameethoxyethane;2-ethyl-2-phosphonobutanoic acid
SMILESCCC(CC)(C(=O)O)P(=O)(O)O.CCOCC
InChIInChI=1S/C6H13O5P.C4H10O/c1-3-6(4-2,5(7)8)12(9,10)11;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8)(H2,9,10,11);3-4H2,1-2H3
InChIKeyPIJJNXWGJMEQHI-UHFFFAOYSA-N
XLogP1.85
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxyethane;2-ethyl-2-phosphonobutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-ethyl-2-phosphonobutanoic acid?
The IUPAC name of ethoxyethane;2-ethyl-2-phosphonobutanoic acid (CID 86749295) is ethoxyethane;2-ethyl-2-phosphonobutanoic acid.
What is the SMILES notation for ethoxyethane;2-ethyl-2-phosphonobutanoic acid?
The canonical SMILES for ethoxyethane;2-ethyl-2-phosphonobutanoic acid is CCC(CC)(C(=O)O)P(=O)(O)O.CCOCC.
What is the InChIKey of ethoxyethane;2-ethyl-2-phosphonobutanoic acid?
The InChIKey is PIJJNXWGJMEQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P.C4H10O/c1-3-6(4-2,5(7)8)12(9,10)11;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8)(H2,9,10,11);3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-ethyl-2-phosphonobutanoic acid?
ethoxyethane;2-ethyl-2-phosphonobutanoic acid has a molecular weight of 270.26 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-ethyl-2-phosphonobutanoic acid is sourced from PubChem (CID 86749295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).