2-(iodomethyl)-5-methyloxolane

C6H11IO — CID 558946

IUPAC2-(iodomethyl)-5-methyloxolane
SMILESCC1CCC(CI)O1
InChIInChI=1S/C6H11IO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3
InChIKeyUORBAIPDXXLMMX-UHFFFAOYSA-N
MW226.06 g/mol
LogP1.99
Rot. Bonds1

About 2-(iodomethyl)-5-methyloxolane

2-(iodomethyl)-5-methyloxolane (PubChem CID 558946) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is 2-(iodomethyl)-5-methyloxolane.

Molecular Properties

Compound Name2-(iodomethyl)-5-methyloxolane
PubChem CID558946
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name2-(iodomethyl)-5-methyloxolane
SMILESCC1CCC(CI)O1
InChIInChI=1S/C6H11IO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3
InChIKeyUORBAIPDXXLMMX-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.99
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-5-methyloxolane?
The IUPAC name of 2-(iodomethyl)-5-methyloxolane (CID 558946) is 2-(iodomethyl)-5-methyloxolane.
What is the SMILES notation for 2-(iodomethyl)-5-methyloxolane?
The canonical SMILES for 2-(iodomethyl)-5-methyloxolane is CC1CCC(CI)O1.
What is the InChIKey of 2-(iodomethyl)-5-methyloxolane?
The InChIKey is UORBAIPDXXLMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-(iodomethyl)-5-methyloxolane?
2-(iodomethyl)-5-methyloxolane has a molecular weight of 226.06 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-5-methyloxolane is sourced from PubChem (CID 558946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).