bis(2-ethylhexyl)-oxophosphanium;phosphorous acid

C16H37O4P2+ — CID 174380379

IUPACbis(2-ethylhexyl)-oxophosphanium;phosphorous acid
SMILESCCCCC(CC)C[P+](=O)CC(CC)CCCC.OP(O)O
InChIInChI=1S/C16H34OP.H3O3P/c1-5-9-11-15(7-3)13-18(17)14-16(8-4)12-10-6-2;1-4(2)3/h15-16H,5-14H2,1-4H3;1-3H/q+1;
InChIKeyQPIGBINEMAIRLT-UHFFFAOYSA-N
MW355.42 g/mol
LogP5.44
Rot. Bonds12

About bis(2-ethylhexyl)-oxophosphanium;phosphorous acid

bis(2-ethylhexyl)-oxophosphanium;phosphorous acid (PubChem CID 174380379) has the molecular formula C16H37O4P2+ and a molecular weight of 355.42 g/mol. Its IUPAC name is bis(2-ethylhexyl)-oxophosphanium;phosphorous acid.

Molecular Properties

Compound Namebis(2-ethylhexyl)-oxophosphanium;phosphorous acid
PubChem CID174380379
Molecular FormulaC16H37O4P2+
Molecular Weight355.42 g/mol
Exact Mass355.22
IUPAC Namebis(2-ethylhexyl)-oxophosphanium;phosphorous acid
SMILESCCCCC(CC)C[P+](=O)CC(CC)CCCC.OP(O)O
InChIInChI=1S/C16H34OP.H3O3P/c1-5-9-11-15(7-3)13-18(17)14-16(8-4)12-10-6-2;1-4(2)3/h15-16H,5-14H2,1-4H3;1-3H/q+1;
InChIKeyQPIGBINEMAIRLT-UHFFFAOYSA-N
XLogP5.44
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2-ethylhexyl)-oxophosphanium;phosphorous 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

bis[(2S)-2-ethylhexyl]-oxophosphanium
CID 99690268
2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium
CID 137377585
tris(4-ethyl-2-(sulfanylmethyl)octanoic acid);phosphorous acid
CID 161296389
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;hydron
CID 175010288
2-ethylhexan-1-ol;iron
CID 22477032
1-(2-ethylhexoxy)-3-methylbutan-2-one
CID 79396410
5-ethylnonane;5-propylnonane
CID 157441807
2-ethylhexyl-(4-methylphenoxy)-oxophosphanium
CID 58805921

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylhexyl)-oxophosphanium;phosphorous acid?
The IUPAC name of bis(2-ethylhexyl)-oxophosphanium;phosphorous acid (CID 174380379) is bis(2-ethylhexyl)-oxophosphanium;phosphorous acid.
What is the SMILES notation for bis(2-ethylhexyl)-oxophosphanium;phosphorous acid?
The canonical SMILES for bis(2-ethylhexyl)-oxophosphanium;phosphorous acid is CCCCC(CC)C[P+](=O)CC(CC)CCCC.OP(O)O.
What is the InChIKey of bis(2-ethylhexyl)-oxophosphanium;phosphorous acid?
The InChIKey is QPIGBINEMAIRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OP.H3O3P/c1-5-9-11-15(7-3)13-18(17)14-16(8-4)12-10-6-2;1-4(2)3/h15-16H,5-14H2,1-4H3;1-3H/q+1;.
What are the key properties of bis(2-ethylhexyl)-oxophosphanium;phosphorous acid?
bis(2-ethylhexyl)-oxophosphanium;phosphorous acid has a molecular weight of 355.42 g/mol, XLogP of 5.44, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylhexyl)-oxophosphanium;phosphorous acid is sourced from PubChem (CID 174380379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).