dimethylarsinic acid

C4H14As2O4 — CID 87073608

IUPACdimethylarsinic acid
SMILESC[As](C)(=O)O.C[As](C)(=O)O
InChIInChI=1S/2C2H7AsO2/c2*1-3(2,4)5/h2*1-2H3,(H,4,5)
InChIKeySJWQIGFETCKYMA-UHFFFAOYSA-N
MW276.00 g/mol
LogP0.22
Rot. Bonds

About dimethylarsinic acid

dimethylarsinic acid (PubChem CID 87073608) has the molecular formula C4H14As2O4 and a molecular weight of 276.00 g/mol. Its IUPAC name is dimethylarsinic acid.

Molecular Properties

Compound Namedimethylarsinic acid
PubChem CID87073608
Molecular FormulaC4H14As2O4
Molecular Weight276.00 g/mol
Exact Mass275.93
IUPAC Namedimethylarsinic acid
SMILESC[As](C)(=O)O.C[As](C)(=O)O
InChIInChI=1S/2C2H7AsO2/c2*1-3(2,4)5/h2*1-2H3,(H,4,5)
InChIKeySJWQIGFETCKYMA-UHFFFAOYSA-N
XLogP0.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.00
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;dimethylarsinic acid
CID 173239907
carbonic acid;dimethylarsinic acid
CID 87755255
CID 23725018
CID 23725018
dimethoxy(oxo)-λ5-arsane;dimethylarsinic acid
CID 158144283
arsoric acid;selane
CID 172725516
arsoric acid;λ2-plumbane
CID 172995596
arsoric acid;yttrium
CID 173376520
hexalithium;arsoric acid;hexafluoride
CID 22020558
arsoric acid;zirconium;hydrate
CID 173447278
Arsenic acid (H3AsO4), ammonium magnesium salt (1:1:1)
CID 131873917
arsoric acid;copper;zinc
CID 57450418
sodium;dimethylarsorylmethane;hydride
CID 175026374

Frequently Asked Questions

What is the IUPAC name of dimethylarsinic acid?
The IUPAC name of dimethylarsinic acid (CID 87073608) is dimethylarsinic acid.
What is the SMILES notation for dimethylarsinic acid?
The canonical SMILES for dimethylarsinic acid is C[As](C)(=O)O.C[As](C)(=O)O.
What is the InChIKey of dimethylarsinic acid?
The InChIKey is SJWQIGFETCKYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7AsO2/c2*1-3(2,4)5/h2*1-2H3,(H,4,5).
What are the key properties of dimethylarsinic acid?
dimethylarsinic acid has a molecular weight of 276.00 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylarsinic acid is sourced from PubChem (CID 87073608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).