dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol

C4H12O6P+ — CID 174701036

IUPACdihydroxy(oxo)phosphanium;2,2-dimethoxyethanol
SMILESCOC(CO)OC.O=[P+](O)O
InChIInChI=1S/C4H10O3.HO3P/c1-6-4(3-5)7-2;1-4(2)3/h4-5H,3H2,1-2H3;(H-,1,2,3)/p+1
InChIKeySFSAYGNCLFUXJO-UHFFFAOYSA-O
MW187.11 g/mol
LogP-0.77
Rot. Bonds3

About dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol

dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol (PubChem CID 174701036) has the molecular formula C4H12O6P+ and a molecular weight of 187.11 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;2,2-dimethoxyethanol
PubChem CID174701036
Molecular FormulaC4H12O6P+
Molecular Weight187.11 g/mol
Exact Mass187.04
IUPAC Namedihydroxy(oxo)phosphanium;2,2-dimethoxyethanol
SMILESCOC(CO)OC.O=[P+](O)O
InChIInChI=1S/C4H10O3.HO3P/c1-6-4(3-5)7-2;1-4(2)3/h4-5H,3H2,1-2H3;(H-,1,2,3)/p+1
InChIKeySFSAYGNCLFUXJO-UHFFFAOYSA-O
XLogP-0.77
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

magnesium;2,2-dimethoxyethanol;hydride
CID 174500323
dihydroxy(oxo)phosphanium;propane-1,2,3-triol
CID 87878528
2-(3,3-dimethoxypropyl)propane-1,3-diol
CID 19350817
dimethoxymethyl-hydroxy-oxophosphanium
CID 12601980
2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol
CID 118017315
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium
CID 87424977
2-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57305143
(2S,3R)-2,3-dimethoxybutane-1,4-diol
CID 119097957
(2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol
CID 10035953
bis(dihydroxy(oxo)phosphanium);2-(methylamino)ethanol
CID 88596466
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol?
The IUPAC name of dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol (CID 174701036) is dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol.
What is the SMILES notation for dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol?
The canonical SMILES for dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol is COC(CO)OC.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol?
The InChIKey is SFSAYGNCLFUXJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10O3.HO3P/c1-6-4(3-5)7-2;1-4(2)3/h4-5H,3H2,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol?
dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol has a molecular weight of 187.11 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol is sourced from PubChem (CID 174701036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).