2-iodo-2-methoxypropane

C4H9IO — CID 122468901

IUPAC2-iodo-2-methoxypropane
SMILESCOC(C)(C)I
InChIInChI=1S/C4H9IO/c1-4(2,5)6-3/h1-3H3
InChIKeyBQFSDMUAXLWSNC-UHFFFAOYSA-N
MW200.02 g/mol
LogP1.80
Rot. Bonds1

About 2-iodo-2-methoxypropane

2-iodo-2-methoxypropane (PubChem CID 122468901) has the molecular formula C4H9IO and a molecular weight of 200.02 g/mol. Its IUPAC name is 2-iodo-2-methoxypropane.

Molecular Properties

Compound Name2-iodo-2-methoxypropane
PubChem CID122468901
Molecular FormulaC4H9IO
Molecular Weight200.02 g/mol
Exact Mass199.97
IUPAC Name2-iodo-2-methoxypropane
SMILESCOC(C)(C)I
InChIInChI=1S/C4H9IO/c1-4(2,5)6-3/h1-3H3
InChIKeyBQFSDMUAXLWSNC-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-iodo-2-methoxypropane 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-iodo-2-methoxypropane?
The IUPAC name of 2-iodo-2-methoxypropane (CID 122468901) is 2-iodo-2-methoxypropane.
What is the SMILES notation for 2-iodo-2-methoxypropane?
The canonical SMILES for 2-iodo-2-methoxypropane is COC(C)(C)I.
What is the InChIKey of 2-iodo-2-methoxypropane?
The InChIKey is BQFSDMUAXLWSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IO/c1-4(2,5)6-3/h1-3H3.
What are the key properties of 2-iodo-2-methoxypropane?
2-iodo-2-methoxypropane has a molecular weight of 200.02 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-methoxypropane is sourced from PubChem (CID 122468901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).