dimethyl hydrogen phosphate

C2H7O4P — CID 13134

IUPACdimethyl hydrogen phosphate
SMILESCOP(=O)(O)OC
InChIInChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)
InChIKeyKKUKTXOBAWVSHC-UHFFFAOYSA-N
MW126.05 g/mol
LogP0.38
Rot. Bonds2

About dimethyl hydrogen phosphate

dimethyl hydrogen phosphate (PubChem CID 13134) has the molecular formula C2H7O4P and a molecular weight of 126.05 g/mol. Its IUPAC name is dimethyl hydrogen phosphate.

Molecular Properties

Compound Namedimethyl hydrogen phosphate
PubChem CID13134
Molecular FormulaC2H7O4P
Molecular Weight126.05 g/mol
Exact Mass126.01
IUPAC Namedimethyl hydrogen phosphate
SMILESCOP(=O)(O)OC
InChIInChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)
InChIKeyKKUKTXOBAWVSHC-UHFFFAOYSA-N
XLogP0.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.05
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl hydrogen phosphate?
The IUPAC name of dimethyl hydrogen phosphate (CID 13134) is dimethyl hydrogen phosphate.
What is the SMILES notation for dimethyl hydrogen phosphate?
The canonical SMILES for dimethyl hydrogen phosphate is COP(=O)(O)OC.
What is the InChIKey of dimethyl hydrogen phosphate?
The InChIKey is KKUKTXOBAWVSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4).
What are the key properties of dimethyl hydrogen phosphate?
dimethyl hydrogen phosphate has a molecular weight of 126.05 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hydrogen phosphate is sourced from PubChem (CID 13134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).