2-iodo-3-methyl-4-methylideneoxolane

C6H9IO — CID 118491859

IUPAC2-iodo-3-methyl-4-methylideneoxolane
SMILESC=C1COC(I)C1C
InChIInChI=1S/C6H9IO/c1-4-3-8-6(7)5(4)2/h5-6H,1,3H2,2H3
InChIKeyZHAMXEZZKJPLMN-UHFFFAOYSA-N
MW224.04 g/mol
LogP1.97
Rot. Bonds

About 2-iodo-3-methyl-4-methylideneoxolane

2-iodo-3-methyl-4-methylideneoxolane (PubChem CID 118491859) has the molecular formula C6H9IO and a molecular weight of 224.04 g/mol. Its IUPAC name is 2-iodo-3-methyl-4-methylideneoxolane.

Molecular Properties

Compound Name2-iodo-3-methyl-4-methylideneoxolane
PubChem CID118491859
Molecular FormulaC6H9IO
Molecular Weight224.04 g/mol
Exact Mass223.97
IUPAC Name2-iodo-3-methyl-4-methylideneoxolane
SMILESC=C1COC(I)C1C
InChIInChI=1S/C6H9IO/c1-4-3-8-6(7)5(4)2/h5-6H,1,3H2,2H3
InChIKeyZHAMXEZZKJPLMN-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.97
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-4-methylideneoxolane?
The IUPAC name of 2-iodo-3-methyl-4-methylideneoxolane (CID 118491859) is 2-iodo-3-methyl-4-methylideneoxolane.
What is the SMILES notation for 2-iodo-3-methyl-4-methylideneoxolane?
The canonical SMILES for 2-iodo-3-methyl-4-methylideneoxolane is C=C1COC(I)C1C.
What is the InChIKey of 2-iodo-3-methyl-4-methylideneoxolane?
The InChIKey is ZHAMXEZZKJPLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IO/c1-4-3-8-6(7)5(4)2/h5-6H,1,3H2,2H3.
What are the key properties of 2-iodo-3-methyl-4-methylideneoxolane?
2-iodo-3-methyl-4-methylideneoxolane has a molecular weight of 224.04 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-4-methylideneoxolane is sourced from PubChem (CID 118491859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).