ethoxy-hexyl-dihydroxyphosphanium

C8H20O3P+ — CID 175443521

IUPACethoxy-hexyl-dihydroxyphosphanium
SMILESCCCCCC[P+](O)(O)OCC
InChIInChI=1S/C8H20O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h9-10H,3-8H2,1-2H3/q+1
InChIKeyOQXCHKRHBVDRSW-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.35
Rot. Bonds7

About ethoxy-hexyl-dihydroxyphosphanium

ethoxy-hexyl-dihydroxyphosphanium (PubChem CID 175443521) has the molecular formula C8H20O3P+ and a molecular weight of 195.22 g/mol. Its IUPAC name is ethoxy-hexyl-dihydroxyphosphanium.

Molecular Properties

Compound Nameethoxy-hexyl-dihydroxyphosphanium
PubChem CID175443521
Molecular FormulaC8H20O3P+
Molecular Weight195.22 g/mol
Exact Mass195.11
IUPAC Nameethoxy-hexyl-dihydroxyphosphanium
SMILESCCCCCC[P+](O)(O)OCC
InChIInChI=1S/C8H20O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h9-10H,3-8H2,1-2H3/q+1
InChIKeyOQXCHKRHBVDRSW-UHFFFAOYSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxy-hexyl-dihydroxyphosphanium 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

ethoxy(trihexyl)phosphanium
CID 175604619
2-(butylamino)ethoxy-dihydroxy-octadecylphosphanium
CID 56976477
2,2-bis(hydroxymethyl)propane-1,3-diol;[dihydroxy(tridecyl)phosphaniumyl]oxy-dihydroxy-tridecylphosphanium
CID 175809503
hydroxy(tripentyl)phosphanium
CID 87283132
2-butyl-1-ethoxyoctan-1-ol
CID 141447207
ethyl-hexoxy-dihydroxyphosphanium
CID 170563061
octane;propan-2-ol
CID 160746796
decane;dodecane-1,1-diol
CID 162011285
cadmium;trihydroxy(pentyl)phosphanium
CID 175330223
nonacosane-1,1-diol
CID 23066924
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of ethoxy-hexyl-dihydroxyphosphanium?
The IUPAC name of ethoxy-hexyl-dihydroxyphosphanium (CID 175443521) is ethoxy-hexyl-dihydroxyphosphanium.
What is the SMILES notation for ethoxy-hexyl-dihydroxyphosphanium?
The canonical SMILES for ethoxy-hexyl-dihydroxyphosphanium is CCCCCC[P+](O)(O)OCC.
What is the InChIKey of ethoxy-hexyl-dihydroxyphosphanium?
The InChIKey is OQXCHKRHBVDRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h9-10H,3-8H2,1-2H3/q+1.
What are the key properties of ethoxy-hexyl-dihydroxyphosphanium?
ethoxy-hexyl-dihydroxyphosphanium has a molecular weight of 195.22 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hexyl-dihydroxyphosphanium is sourced from PubChem (CID 175443521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).