dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid

C16H33O4P — CID 44606055

IUPACdodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid
SMILESCCCCCCCCCCCCP(=O)(O)CC(=O)OCC
InChIInChI=1S/C16H33O4P/c1-3-5-6-7-8-9-10-11-12-13-14-21(18,19)15-16(17)20-4-2/h3-15H2,1-2H3,(H,18,19)
InChIKeyGWCIHRCXLGLBSR-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.74
Rot. Bonds14

About dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid

dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid (PubChem CID 44606055) has the molecular formula C16H33O4P and a molecular weight of 320.41 g/mol. Its IUPAC name is dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid.

Molecular Properties

Compound Namedodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid
PubChem CID44606055
Molecular FormulaC16H33O4P
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC Namedodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid
SMILESCCCCCCCCCCCCP(=O)(O)CC(=O)OCC
InChIInChI=1S/C16H33O4P/c1-3-5-6-7-8-9-10-11-12-13-14-21(18,19)15-16(17)20-4-2/h3-15H2,1-2H3,(H,18,19)
InChIKeyGWCIHRCXLGLBSR-UHFFFAOYSA-N
XLogP4.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dodecyl-(2-ethoxy-2-oxoethyl)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

Related Compounds

2-[dodecyl(hydroxy)phosphoryl]acetic acid
CID 56691297
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
(2-amino-2-hydroxyiminoethyl)-nonylphosphinic acid
CID 167433591
(2-butoxy-2-oxoethyl)-ethylphosphinic acid
CID 141259746
ethyl undecanoate
CID 12327
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
butane;ethoxy(hexyl)phosphinic acid
CID 174841560

Frequently Asked Questions

What is the IUPAC name of dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid?
The IUPAC name of dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid (CID 44606055) is dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid.
What is the SMILES notation for dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid?
The canonical SMILES for dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid is CCCCCCCCCCCCP(=O)(O)CC(=O)OCC.
What is the InChIKey of dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid?
The InChIKey is GWCIHRCXLGLBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33O4P/c1-3-5-6-7-8-9-10-11-12-13-14-21(18,19)15-16(17)20-4-2/h3-15H2,1-2H3,(H,18,19).
What are the key properties of dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid?
dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid has a molecular weight of 320.41 g/mol, XLogP of 4.74, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid is sourced from PubChem (CID 44606055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).