tris(2-methylpropyl) arsorite

C12H27AsO3 — CID 12964989

IUPACtris(2-methylpropyl) arsorite
SMILESCC(C)CO[As](OCC(C)C)OCC(C)C
InChIInChI=1S/C12H27AsO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyXANMXOFFEAHZDG-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.99
Rot. Bonds9

About tris(2-methylpropyl) arsorite

tris(2-methylpropyl) arsorite (PubChem CID 12964989) has the molecular formula C12H27AsO3 and a molecular weight of 294.27 g/mol. Its IUPAC name is tris(2-methylpropyl) arsorite.

Molecular Properties

Compound Nametris(2-methylpropyl) arsorite
PubChem CID12964989
Molecular FormulaC12H27AsO3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Nametris(2-methylpropyl) arsorite
SMILESCC(C)CO[As](OCC(C)C)OCC(C)C
InChIInChI=1S/C12H27AsO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyXANMXOFFEAHZDG-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl) arsorite?
The IUPAC name of tris(2-methylpropyl) arsorite (CID 12964989) is tris(2-methylpropyl) arsorite.
What is the SMILES notation for tris(2-methylpropyl) arsorite?
The canonical SMILES for tris(2-methylpropyl) arsorite is CC(C)CO[As](OCC(C)C)OCC(C)C.
What is the InChIKey of tris(2-methylpropyl) arsorite?
The InChIKey is XANMXOFFEAHZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27AsO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of tris(2-methylpropyl) arsorite?
tris(2-methylpropyl) arsorite has a molecular weight of 294.27 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl) arsorite is sourced from PubChem (CID 12964989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).