dihexadecylarsinous acid

C32H67AsO — CID 175206822

IUPACdihexadecylarsinous acid
SMILESCCCCCCCCCCCCCCCC[As](O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C32H67AsO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-32H2,1-2H3
InChIKeyQSISOPOINODXKT-UHFFFAOYSA-N
MW542.81 g/mol
LogP11.93
Rot. Bonds30

About dihexadecylarsinous acid

dihexadecylarsinous acid (PubChem CID 175206822) has the molecular formula C32H67AsO and a molecular weight of 542.81 g/mol. Its IUPAC name is dihexadecylarsinous acid.

Molecular Properties

Compound Namedihexadecylarsinous acid
PubChem CID175206822
Molecular FormulaC32H67AsO
Molecular Weight542.81 g/mol
Exact Mass542.44
IUPAC Namedihexadecylarsinous acid
SMILESCCCCCCCCCCCCCCCC[As](O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C32H67AsO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-32H2,1-2H3
InChIKeyQSISOPOINODXKT-UHFFFAOYSA-N
XLogP11.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.81
LogP ≤ 511.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanol;undecane
CID 161373911
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of dihexadecylarsinous acid?
The IUPAC name of dihexadecylarsinous acid (CID 175206822) is dihexadecylarsinous acid.
What is the SMILES notation for dihexadecylarsinous acid?
The canonical SMILES for dihexadecylarsinous acid is CCCCCCCCCCCCCCCC[As](O)CCCCCCCCCCCCCCCC.
What is the InChIKey of dihexadecylarsinous acid?
The InChIKey is QSISOPOINODXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67AsO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-32H2,1-2H3.
What are the key properties of dihexadecylarsinous acid?
dihexadecylarsinous acid has a molecular weight of 542.81 g/mol, XLogP of 11.93, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihexadecylarsinous acid is sourced from PubChem (CID 175206822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).