diethoxyarsinous acid

C4H11AsO3 — CID 21402593

IUPACdiethoxyarsinous acid
SMILESCCO[As](O)OCC
InChIInChI=1S/C4H11AsO3/c1-3-7-5(6)8-4-2/h6H,3-4H2,1-2H3
InChIKeyCHWVHOVMYJNPSL-UHFFFAOYSA-N
MW182.05 g/mol
LogP0.04
Rot. Bonds4

About diethoxyarsinous acid

diethoxyarsinous acid (PubChem CID 21402593) has the molecular formula C4H11AsO3 and a molecular weight of 182.05 g/mol. Its IUPAC name is diethoxyarsinous acid.

Molecular Properties

Compound Namediethoxyarsinous acid
PubChem CID21402593
Molecular FormulaC4H11AsO3
Molecular Weight182.05 g/mol
Exact Mass181.99
IUPAC Namediethoxyarsinous acid
SMILESCCO[As](O)OCC
InChIInChI=1S/C4H11AsO3/c1-3-7-5(6)8-4-2/h6H,3-4H2,1-2H3
InChIKeyCHWVHOVMYJNPSL-UHFFFAOYSA-N
XLogP0.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxyarsonous acid
CID 87980186
hydroperoxyethane;rhodium
CID 150435178
ethylmercury;silicic acid
CID 174832144
ethanol;ruthenium
CID 150841781
ethanol;ruthenium
CID 157358792
ethoxysilane;hydrogen peroxide
CID 174830541
CID 87506703
CID 87506703
ethoxyethane;hydroxylamine
CID 135816400
ethoxy(hydroxysilyl)silane
CID 123524431
propane;ruthenium
CID 161061794
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445

Frequently Asked Questions

What is the IUPAC name of diethoxyarsinous acid?
The IUPAC name of diethoxyarsinous acid (CID 21402593) is diethoxyarsinous acid.
What is the SMILES notation for diethoxyarsinous acid?
The canonical SMILES for diethoxyarsinous acid is CCO[As](O)OCC.
What is the InChIKey of diethoxyarsinous acid?
The InChIKey is CHWVHOVMYJNPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11AsO3/c1-3-7-5(6)8-4-2/h6H,3-4H2,1-2H3.
What are the key properties of diethoxyarsinous acid?
diethoxyarsinous acid has a molecular weight of 182.05 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyarsinous acid is sourced from PubChem (CID 21402593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).