2-iodooxane

C5H9IO — CID 12714357

IUPAC2-iodooxane
SMILESIC1CCCCO1
InChIInChI=1S/C5H9IO/c6-5-3-1-2-4-7-5/h5H,1-4H2
InChIKeyNSXNEDWEQICJAS-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.95
Rot. Bonds

About 2-iodooxane

2-iodooxane (PubChem CID 12714357) has the molecular formula C5H9IO and a molecular weight of 212.03 g/mol. Its IUPAC name is 2-iodooxane.

Molecular Properties

Compound Name2-iodooxane
PubChem CID12714357
Molecular FormulaC5H9IO
Molecular Weight212.03 g/mol
Exact Mass211.97
IUPAC Name2-iodooxane
SMILESIC1CCCCO1
InChIInChI=1S/C5H9IO/c6-5-3-1-2-4-7-5/h5H,1-4H2
InChIKeyNSXNEDWEQICJAS-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.95
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-iodooxane?
The IUPAC name of 2-iodooxane (CID 12714357) is 2-iodooxane.
What is the SMILES notation for 2-iodooxane?
The canonical SMILES for 2-iodooxane is IC1CCCCO1.
What is the InChIKey of 2-iodooxane?
The InChIKey is NSXNEDWEQICJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO/c6-5-3-1-2-4-7-5/h5H,1-4H2.
What are the key properties of 2-iodooxane?
2-iodooxane has a molecular weight of 212.03 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodooxane is sourced from PubChem (CID 12714357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).