2-dimethoxyphosphoryloxy-2-methylpropanoic acid

C6H13O6P — CID 123944469

IUPAC2-dimethoxyphosphoryloxy-2-methylpropanoic acid
SMILESCOP(=O)(OC)OC(C)(C)C(=O)O
InChIInChI=1S/C6H13O6P/c1-6(2,5(7)8)12-13(9,10-3)11-4/h1-4H3,(H,7,8)
InChIKeyWXOXFLHFVWZBII-UHFFFAOYSA-N
MW212.14 g/mol
LogP1.27
Rot. Bonds5

About 2-dimethoxyphosphoryloxy-2-methylpropanoic acid

2-dimethoxyphosphoryloxy-2-methylpropanoic acid (PubChem CID 123944469) has the molecular formula C6H13O6P and a molecular weight of 212.14 g/mol. Its IUPAC name is 2-dimethoxyphosphoryloxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-dimethoxyphosphoryloxy-2-methylpropanoic acid
PubChem CID123944469
Molecular FormulaC6H13O6P
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Name2-dimethoxyphosphoryloxy-2-methylpropanoic acid
SMILESCOP(=O)(OC)OC(C)(C)C(=O)O
InChIInChI=1S/C6H13O6P/c1-6(2,5(7)8)12-13(9,10-3)11-4/h1-4H3,(H,7,8)
InChIKeyWXOXFLHFVWZBII-UHFFFAOYSA-N
XLogP1.27
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-dichloroethyl dimethyl phosphate
CID 87919827
1,1-dihydroxyethyl dimethyl phosphate
CID 142647593
2-dimethoxyphosphoryl-2-methylpropanoic acid
CID 87489507
tris(2,3-dimethylbut-3-en-2-yl) phosphate
CID 88802532
3-ethylpentan-3-yl dimethyl phosphate
CID 57180784
bis(tricarboxymethoxy)phosphoryloxymethanetricarboxylic acid
CID 146635454
2-dimethoxyphosphoryloxyacetic acid
CID 88616837
hydroxy dimethyl phosphate
CID 126582959
methyl bis(trifluoromethyl) phosphate
CID 87128096
2-dimethoxyphosphoryloxypropanoic acid
CID 88549351
tert-butyl 2,2-dichloroethenyl methyl phosphate
CID 21421354
dimethyl 3-methylpent-1-yn-3-yl phosphate
CID 139925521

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryloxy-2-methylpropanoic acid?
The IUPAC name of 2-dimethoxyphosphoryloxy-2-methylpropanoic acid (CID 123944469) is 2-dimethoxyphosphoryloxy-2-methylpropanoic acid.
What is the SMILES notation for 2-dimethoxyphosphoryloxy-2-methylpropanoic acid?
The canonical SMILES for 2-dimethoxyphosphoryloxy-2-methylpropanoic acid is COP(=O)(OC)OC(C)(C)C(=O)O.
What is the InChIKey of 2-dimethoxyphosphoryloxy-2-methylpropanoic acid?
The InChIKey is WXOXFLHFVWZBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O6P/c1-6(2,5(7)8)12-13(9,10-3)11-4/h1-4H3,(H,7,8).
What are the key properties of 2-dimethoxyphosphoryloxy-2-methylpropanoic acid?
2-dimethoxyphosphoryloxy-2-methylpropanoic acid has a molecular weight of 212.14 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryloxy-2-methylpropanoic acid is sourced from PubChem (CID 123944469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).