4-[(E)-2-iodoethenyl]oxane

C7H11IO — CID 149360439

IUPAC4-[(E)-2-iodoethenyl]oxane
SMILESI/C=C/C1CCOCC1
InChIInChI=1S/C7H11IO/c8-4-1-7-2-5-9-6-3-7/h1,4,7H,2-3,5-6H2/b4-1+
InChIKeyYHUMNEOPJUNBJX-DAFODLJHSA-N
MW238.07 g/mol
LogP2.36
Rot. Bonds1

About 4-[(E)-2-iodoethenyl]oxane

4-[(E)-2-iodoethenyl]oxane (PubChem CID 149360439) has the molecular formula C7H11IO and a molecular weight of 238.07 g/mol. Its IUPAC name is 4-[(E)-2-iodoethenyl]oxane.

Molecular Properties

Compound Name4-[(E)-2-iodoethenyl]oxane
PubChem CID149360439
Molecular FormulaC7H11IO
Molecular Weight238.07 g/mol
Exact Mass237.99
IUPAC Name4-[(E)-2-iodoethenyl]oxane
SMILESI/C=C/C1CCOCC1
InChIInChI=1S/C7H11IO/c8-4-1-7-2-5-9-6-3-7/h1,4,7H,2-3,5-6H2/b4-1+
InChIKeyYHUMNEOPJUNBJX-DAFODLJHSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-iodoethenyl]oxane 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 4-[(E)-2-iodoethenyl]oxane?
The IUPAC name of 4-[(E)-2-iodoethenyl]oxane (CID 149360439) is 4-[(E)-2-iodoethenyl]oxane.
What is the SMILES notation for 4-[(E)-2-iodoethenyl]oxane?
The canonical SMILES for 4-[(E)-2-iodoethenyl]oxane is I/C=C/C1CCOCC1.
What is the InChIKey of 4-[(E)-2-iodoethenyl]oxane?
The InChIKey is YHUMNEOPJUNBJX-DAFODLJHSA-N. The full InChI is InChI=1S/C7H11IO/c8-4-1-7-2-5-9-6-3-7/h1,4,7H,2-3,5-6H2/b4-1+.
What are the key properties of 4-[(E)-2-iodoethenyl]oxane?
4-[(E)-2-iodoethenyl]oxane has a molecular weight of 238.07 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-iodoethenyl]oxane is sourced from PubChem (CID 149360439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).