dimethyl hydrogen phosphate;methane

C3H11O4P — CID 88807117

IUPACdimethyl hydrogen phosphate;methane
SMILESC.COP(=O)(O)OC
InChIInChI=1S/C2H7O4P.CH4/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);1H4
InChIKeyUXOKOCYPPZYPPY-UHFFFAOYSA-N
MW142.09 g/mol
LogP1.02
Rot. Bonds2

About dimethyl hydrogen phosphate;methane

dimethyl hydrogen phosphate;methane (PubChem CID 88807117) has the molecular formula C3H11O4P and a molecular weight of 142.09 g/mol. Its IUPAC name is dimethyl hydrogen phosphate;methane.

Molecular Properties

Compound Namedimethyl hydrogen phosphate;methane
PubChem CID88807117
Molecular FormulaC3H11O4P
Molecular Weight142.09 g/mol
Exact Mass142.04
IUPAC Namedimethyl hydrogen phosphate;methane
SMILESC.COP(=O)(O)OC
InChIInChI=1S/C2H7O4P.CH4/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);1H4
InChIKeyUXOKOCYPPZYPPY-UHFFFAOYSA-N
XLogP1.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
fluoro methyl hydrogen phosphate
CID 87128109
diethyl hydrogen phosphate;dimethyl hydrogen phosphate;dihydrochloride
CID 173401897
azane;methyl phosphono hydrogen phosphate
CID 175124465
dimethyl hydrogen phosphate;pyridine
CID 174868032
carbanylium;methyl dihydrogen phosphate
CID 165007935
azane;[hydroxy(methoxy)phosphoryl] dimethyl phosphate
CID 174777676
CID 59319489
CID 59319489
tripotassium;amino methyl hydrogen phosphate;azane;hydride
CID 174615874

Frequently Asked Questions

What is the IUPAC name of dimethyl hydrogen phosphate;methane?
The IUPAC name of dimethyl hydrogen phosphate;methane (CID 88807117) is dimethyl hydrogen phosphate;methane.
What is the SMILES notation for dimethyl hydrogen phosphate;methane?
The canonical SMILES for dimethyl hydrogen phosphate;methane is C.COP(=O)(O)OC.
What is the InChIKey of dimethyl hydrogen phosphate;methane?
The InChIKey is UXOKOCYPPZYPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O4P.CH4/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);1H4.
What are the key properties of dimethyl hydrogen phosphate;methane?
dimethyl hydrogen phosphate;methane has a molecular weight of 142.09 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hydrogen phosphate;methane is sourced from PubChem (CID 88807117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).