2-methylpropyl dibromoarsanylformate

C5H9AsBr2O2 — CID 87971467

IUPAC2-methylpropyl dibromoarsanylformate
SMILESCC(C)COC(=O)[As](Br)Br
InChIInChI=1S/C5H9AsBr2O2/c1-4(2)3-10-5(9)6(7)8/h4H,3H2,1-2H3
InChIKeyIGMMBWUGOLCGIX-UHFFFAOYSA-N
MW335.86 g/mol
LogP2.64
Rot. Bonds3

About 2-methylpropyl dibromoarsanylformate

2-methylpropyl dibromoarsanylformate (PubChem CID 87971467) has the molecular formula C5H9AsBr2O2 and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-methylpropyl dibromoarsanylformate.

Molecular Properties

Compound Name2-methylpropyl dibromoarsanylformate
PubChem CID87971467
Molecular FormulaC5H9AsBr2O2
Molecular Weight335.86 g/mol
Exact Mass333.82
IUPAC Name2-methylpropyl dibromoarsanylformate
SMILESCC(C)COC(=O)[As](Br)Br
InChIInChI=1S/C5H9AsBr2O2/c1-4(2)3-10-5(9)6(7)8/h4H,3H2,1-2H3
InChIKeyIGMMBWUGOLCGIX-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylpropyl dibromoarsanylformate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl dibromoarsanylformate?
The IUPAC name of 2-methylpropyl dibromoarsanylformate (CID 87971467) is 2-methylpropyl dibromoarsanylformate.
What is the SMILES notation for 2-methylpropyl dibromoarsanylformate?
The canonical SMILES for 2-methylpropyl dibromoarsanylformate is CC(C)COC(=O)[As](Br)Br.
What is the InChIKey of 2-methylpropyl dibromoarsanylformate?
The InChIKey is IGMMBWUGOLCGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9AsBr2O2/c1-4(2)3-10-5(9)6(7)8/h4H,3H2,1-2H3.
What are the key properties of 2-methylpropyl dibromoarsanylformate?
2-methylpropyl dibromoarsanylformate has a molecular weight of 335.86 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl dibromoarsanylformate is sourced from PubChem (CID 87971467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).