4-(2-iodoethyl)oxane

C7H13IO — CID 71648954

IUPAC4-(2-iodoethyl)oxane
SMILESICCC1CCOCC1
InChIInChI=1S/C7H13IO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2
InChIKeyDMFPKHPJSREPBI-UHFFFAOYSA-N
MW240.08 g/mol
LogP2.24
Rot. Bonds2

About 4-(2-iodoethyl)oxane

4-(2-iodoethyl)oxane (PubChem CID 71648954) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is 4-(2-iodoethyl)oxane.

Molecular Properties

Compound Name4-(2-iodoethyl)oxane
PubChem CID71648954
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name4-(2-iodoethyl)oxane
SMILESICCC1CCOCC1
InChIInChI=1S/C7H13IO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2
InChIKeyDMFPKHPJSREPBI-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 52.24
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 4-(2-iodoethyl)oxane?
The IUPAC name of 4-(2-iodoethyl)oxane (CID 71648954) is 4-(2-iodoethyl)oxane.
What is the SMILES notation for 4-(2-iodoethyl)oxane?
The canonical SMILES for 4-(2-iodoethyl)oxane is ICCC1CCOCC1.
What is the InChIKey of 4-(2-iodoethyl)oxane?
The InChIKey is DMFPKHPJSREPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2.
What are the key properties of 4-(2-iodoethyl)oxane?
4-(2-iodoethyl)oxane has a molecular weight of 240.08 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodoethyl)oxane is sourced from PubChem (CID 71648954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).