5-iodo-5-methyloxolan-2-one

C5H7IO2 — CID 129281770

IUPAC5-iodo-5-methyloxolan-2-one
SMILESCC1(I)CCC(=O)O1
InChIInChI=1S/C5H7IO2/c1-5(6)3-2-4(7)8-5/h2-3H2,1H3
InChIKeyKIAHRROYDASMAT-UHFFFAOYSA-N
MW226.01 g/mol
LogP1.47
Rot. Bonds

About 5-iodo-5-methyloxolan-2-one

5-iodo-5-methyloxolan-2-one (PubChem CID 129281770) has the molecular formula C5H7IO2 and a molecular weight of 226.01 g/mol. Its IUPAC name is 5-iodo-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-iodo-5-methyloxolan-2-one
PubChem CID129281770
Molecular FormulaC5H7IO2
Molecular Weight226.01 g/mol
Exact Mass225.95
IUPAC Name5-iodo-5-methyloxolan-2-one
SMILESCC1(I)CCC(=O)O1
InChIInChI=1S/C5H7IO2/c1-5(6)3-2-4(7)8-5/h2-3H2,1H3
InChIKeyKIAHRROYDASMAT-UHFFFAOYSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-iodo-5-methyloxolan-2-one?
The IUPAC name of 5-iodo-5-methyloxolan-2-one (CID 129281770) is 5-iodo-5-methyloxolan-2-one.
What is the SMILES notation for 5-iodo-5-methyloxolan-2-one?
The canonical SMILES for 5-iodo-5-methyloxolan-2-one is CC1(I)CCC(=O)O1.
What is the InChIKey of 5-iodo-5-methyloxolan-2-one?
The InChIKey is KIAHRROYDASMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IO2/c1-5(6)3-2-4(7)8-5/h2-3H2,1H3.
What are the key properties of 5-iodo-5-methyloxolan-2-one?
5-iodo-5-methyloxolan-2-one has a molecular weight of 226.01 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-5-methyloxolan-2-one is sourced from PubChem (CID 129281770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).