2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid

C20H31O6P2+ — CID 137423428

IUPAC2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid
SMILESCCCCC(CC)C[P+](O)(Oc1ccccc1)Oc1ccccc1.OP(O)O
InChIInChI=1S/C20H28O3P.H3O3P/c1-3-5-12-18(4-2)17-24(21,22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20;1-4(2)3/h6-11,13-16,18,21H,3-5,12,17H2,1-2H3;1-3H/q+1;
InChIKeyIMXIESGHUHGVQK-UHFFFAOYSA-N
MW429.41 g/mol
LogP5.31
Rot. Bonds10

About 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid

2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid (PubChem CID 137423428) has the molecular formula C20H31O6P2+ and a molecular weight of 429.41 g/mol. Its IUPAC name is 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid.

Molecular Properties

Compound Name2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid
PubChem CID137423428
Molecular FormulaC20H31O6P2+
Molecular Weight429.41 g/mol
Exact Mass429.16
IUPAC Name2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid
SMILESCCCCC(CC)C[P+](O)(Oc1ccccc1)Oc1ccccc1.OP(O)O
InChIInChI=1S/C20H28O3P.H3O3P/c1-3-5-12-18(4-2)17-24(21,22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20;1-4(2)3/h6-11,13-16,18,21H,3-5,12,17H2,1-2H3;1-3H/q+1;
InChIKeyIMXIESGHUHGVQK-UHFFFAOYSA-N
XLogP5.31
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.41
LogP ≤ 55.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl diphenyl phosphate
CID 14716
Tri-p-cresyl phosphate
CID 6529
Fosfestrol
CID 3032325
Monocresyl diphenyl phosphate
CID 6528
Isodecyl diphenyl phosphate
CID 34697
Phosphorous acid, tris(methylphenyl) ester
CID 12106
Diphenyl isodecyl phosphite
CID 9951488
Tri-o-cresyl phosphite
CID 92937
Phosphorous acid, 2-ethylhexyl diphenyl ester
CID 85888
Bis(2-ethylhexyl) phenyl phosphate
CID 85990
Phenyl di(p-tolyl) phosphate
CID 631942
Isooctyl diphenyl phosphite
CID 14440923

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid?
The IUPAC name of 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid (CID 137423428) is 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid.
What is the SMILES notation for 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid?
The canonical SMILES for 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid is CCCCC(CC)C[P+](O)(Oc1ccccc1)Oc1ccccc1.OP(O)O.
What is the InChIKey of 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid?
The InChIKey is IMXIESGHUHGVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3P.H3O3P/c1-3-5-12-18(4-2)17-24(21,22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20;1-4(2)3/h6-11,13-16,18,21H,3-5,12,17H2,1-2H3;1-3H/q+1;.
What are the key properties of 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid?
2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid has a molecular weight of 429.41 g/mol, XLogP of 5.31, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl-hydroxy-diphenoxyphosphanium;phosphorous acid is sourced from PubChem (CID 137423428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).