deuterio(ethoxy)phosphinic acid

C2H7O3P — CID 175700042

IUPACdeuterio(ethoxy)phosphinic acid
SMILES[2H]P(=O)(O)OCC
InChIInChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)/i6D
InChIKeyVUERQRKTYBIULR-RAMDWTOOSA-N
MW111.06 g/mol
LogP0.40
Rot. Bonds2

About deuterio(ethoxy)phosphinic acid

deuterio(ethoxy)phosphinic acid (PubChem CID 175700042) has the molecular formula C2H7O3P and a molecular weight of 111.06 g/mol. Its IUPAC name is deuterio(ethoxy)phosphinic acid.

Molecular Properties

Compound Namedeuterio(ethoxy)phosphinic acid
PubChem CID175700042
Molecular FormulaC2H7O3P
Molecular Weight111.06 g/mol
Exact Mass111.02
IUPAC Namedeuterio(ethoxy)phosphinic acid
SMILES[2H]P(=O)(O)OCC
InChIInChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)/i6D
InChIKeyVUERQRKTYBIULR-RAMDWTOOSA-N
XLogP0.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.06
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[deuterio(ethyl)(2H)phosphoryl]oxyethane
CID 175872075
phosphonic acid;ruthenium
CID 150999369
bis(diethoxyphosphoryl)methanimine
CID 87803281
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
alumane;ethyl dihydrogen phosphate
CID 173113989
CID 54611578
CID 54611578
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
diethyl hydrogen phosphate;sulfane
CID 88774651
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541

Frequently Asked Questions

What is the IUPAC name of deuterio(ethoxy)phosphinic acid?
The IUPAC name of deuterio(ethoxy)phosphinic acid (CID 175700042) is deuterio(ethoxy)phosphinic acid.
What is the SMILES notation for deuterio(ethoxy)phosphinic acid?
The canonical SMILES for deuterio(ethoxy)phosphinic acid is [2H]P(=O)(O)OCC.
What is the InChIKey of deuterio(ethoxy)phosphinic acid?
The InChIKey is VUERQRKTYBIULR-RAMDWTOOSA-N. The full InChI is InChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)/i6D.
What are the key properties of deuterio(ethoxy)phosphinic acid?
deuterio(ethoxy)phosphinic acid has a molecular weight of 111.06 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(ethoxy)phosphinic acid is sourced from PubChem (CID 175700042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).