ethenyl(2-ethylhexoxy)phosphinic acid

C10H21O3P — CID 54221807

IUPACethenyl(2-ethylhexoxy)phosphinic acid
SMILESC=CP(=O)(O)OCC(CC)CCCC
InChIInChI=1S/C10H21O3P/c1-4-7-8-10(5-2)9-13-14(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3,(H,11,12)
InChIKeyQDCOGHWEGPVODS-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.55
Rot. Bonds8

About ethenyl(2-ethylhexoxy)phosphinic acid

ethenyl(2-ethylhexoxy)phosphinic acid (PubChem CID 54221807) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is ethenyl(2-ethylhexoxy)phosphinic acid.

Molecular Properties

Compound Nameethenyl(2-ethylhexoxy)phosphinic acid
PubChem CID54221807
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Nameethenyl(2-ethylhexoxy)phosphinic acid
SMILESC=CP(=O)(O)OCC(CC)CCCC
InChIInChI=1S/C10H21O3P/c1-4-7-8-10(5-2)9-13-14(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3,(H,11,12)
InChIKeyQDCOGHWEGPVODS-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethenyl(2-ethylhexoxy)phosphinic 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 ethenyl(2-ethylhexoxy)phosphinic acid?
The IUPAC name of ethenyl(2-ethylhexoxy)phosphinic acid (CID 54221807) is ethenyl(2-ethylhexoxy)phosphinic acid.
What is the SMILES notation for ethenyl(2-ethylhexoxy)phosphinic acid?
The canonical SMILES for ethenyl(2-ethylhexoxy)phosphinic acid is C=CP(=O)(O)OCC(CC)CCCC.
What is the InChIKey of ethenyl(2-ethylhexoxy)phosphinic acid?
The InChIKey is QDCOGHWEGPVODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-4-7-8-10(5-2)9-13-14(11,12)6-3/h6,10H,3-5,7-9H2,1-2H3,(H,11,12).
What are the key properties of ethenyl(2-ethylhexoxy)phosphinic acid?
ethenyl(2-ethylhexoxy)phosphinic acid has a molecular weight of 220.25 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(2-ethylhexoxy)phosphinic acid is sourced from PubChem (CID 54221807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).