2-ethylhexoxy-oxo-propan-2-yloxyphosphanium

C11H24O3P+ — CID 151079178

IUPAC2-ethylhexoxy-oxo-propan-2-yloxyphosphanium
SMILESCCCCC(CC)CO[P+](=O)OC(C)C
InChIInChI=1S/C11H24O3P/c1-5-7-8-11(6-2)9-13-15(12)14-10(3)4/h10-11H,5-9H2,1-4H3/q+1
InChIKeyHAXNVJYZQGJQBG-UHFFFAOYSA-N
MW235.28 g/mol
LogP4.30
Rot. Bonds9

About 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium

2-ethylhexoxy-oxo-propan-2-yloxyphosphanium (PubChem CID 151079178) has the molecular formula C11H24O3P+ and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium.

Molecular Properties

Compound Name2-ethylhexoxy-oxo-propan-2-yloxyphosphanium
PubChem CID151079178
Molecular FormulaC11H24O3P+
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Name2-ethylhexoxy-oxo-propan-2-yloxyphosphanium
SMILESCCCCC(CC)CO[P+](=O)OC(C)C
InChIInChI=1S/C11H24O3P/c1-5-7-8-11(6-2)9-13-15(12)14-10(3)4/h10-11H,5-9H2,1-4H3/q+1
InChIKeyHAXNVJYZQGJQBG-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium 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

[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium
CID 161169213
heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium
CID 87593586
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium
CID 87433406
2-ethylhexoxy-[2-(octadecylamino)ethyl]-oxophosphanium
CID 174355767
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
[(2R)-2-ethylhexyl] hydrogen sulfate
CID 5496779
2-ethylhexyl 1-aminoethanesulfonate
CID 174411439

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium?
The IUPAC name of 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium (CID 151079178) is 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium.
What is the SMILES notation for 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium?
The canonical SMILES for 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium is CCCCC(CC)CO[P+](=O)OC(C)C.
What is the InChIKey of 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium?
The InChIKey is HAXNVJYZQGJQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3P/c1-5-7-8-11(6-2)9-13-15(12)14-10(3)4/h10-11H,5-9H2,1-4H3/q+1.
What are the key properties of 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium?
2-ethylhexoxy-oxo-propan-2-yloxyphosphanium has a molecular weight of 235.28 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-oxo-propan-2-yloxyphosphanium is sourced from PubChem (CID 151079178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).