cyclohexyloxyarsinic acid

C6H13AsO3 — CID 154070116

IUPACcyclohexyloxyarsinic acid
SMILESO=[AsH](O)OC1CCCCC1
InChIInChI=1S/C6H13AsO3/c8-7(9)10-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9)
InChIKeyWMOJLJQGDYYBRY-UHFFFAOYSA-N
MW208.09 g/mol
LogP0.48
Rot. Bonds2

About cyclohexyloxyarsinic acid

cyclohexyloxyarsinic acid (PubChem CID 154070116) has the molecular formula C6H13AsO3 and a molecular weight of 208.09 g/mol. Its IUPAC name is cyclohexyloxyarsinic acid.

Molecular Properties

Compound Namecyclohexyloxyarsinic acid
PubChem CID154070116
Molecular FormulaC6H13AsO3
Molecular Weight208.09 g/mol
Exact Mass208.01
IUPAC Namecyclohexyloxyarsinic acid
SMILESO=[AsH](O)OC1CCCCC1
InChIInChI=1S/C6H13AsO3/c8-7(9)10-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9)
InChIKeyWMOJLJQGDYYBRY-UHFFFAOYSA-N
XLogP0.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyloxy-hydroxy-sulfanylidene-λ5-arsane
CID 173088720
di(cyclooctyloxy)-oxophosphanium
CID 164745910
cyclopentyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646211
cyclohexane;hydroperoxycyclohexane
CID 88671084
CID 173424592
CID 173424592
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cycloheptyl hydrogen carbonate
CID 23179405
cycloheptadecyl acetate
CID 57215828
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclododecyl nitrate
CID 13304339

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxyarsinic acid?
The IUPAC name of cyclohexyloxyarsinic acid (CID 154070116) is cyclohexyloxyarsinic acid.
What is the SMILES notation for cyclohexyloxyarsinic acid?
The canonical SMILES for cyclohexyloxyarsinic acid is O=[AsH](O)OC1CCCCC1.
What is the InChIKey of cyclohexyloxyarsinic acid?
The InChIKey is WMOJLJQGDYYBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13AsO3/c8-7(9)10-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9).
What are the key properties of cyclohexyloxyarsinic acid?
cyclohexyloxyarsinic acid has a molecular weight of 208.09 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxyarsinic acid is sourced from PubChem (CID 154070116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).