4-(2-hydroxy-1-iodoethyl)oxolan-2-one

C6H9IO3 — CID 10515212

IUPAC4-(2-hydroxy-1-iodoethyl)oxolan-2-one
SMILESO=C1CC(C(I)CO)CO1
InChIInChI=1S/C6H9IO3/c7-5(2-8)4-1-6(9)10-3-4/h4-5,8H,1-3H2
InChIKeyIVEGQEPZCFSPNM-UHFFFAOYSA-N
MW256.04 g/mol
LogP0.35
Rot. Bonds2

About 4-(2-hydroxy-1-iodoethyl)oxolan-2-one

4-(2-hydroxy-1-iodoethyl)oxolan-2-one (PubChem CID 10515212) has the molecular formula C6H9IO3 and a molecular weight of 256.04 g/mol. Its IUPAC name is 4-(2-hydroxy-1-iodoethyl)oxolan-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-1-iodoethyl)oxolan-2-one
PubChem CID10515212
Molecular FormulaC6H9IO3
Molecular Weight256.04 g/mol
Exact Mass255.96
IUPAC Name4-(2-hydroxy-1-iodoethyl)oxolan-2-one
SMILESO=C1CC(C(I)CO)CO1
InChIInChI=1S/C6H9IO3/c7-5(2-8)4-1-6(9)10-3-4/h4-5,8H,1-3H2
InChIKeyIVEGQEPZCFSPNM-UHFFFAOYSA-N
XLogP0.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.04
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-Oxooxolan-3-yl)acetic acid
CID 14084412
2-(Oxolan-3-yl)propanoic acid
CID 79418350
2-(Oxolan-3-yl)acetic acid
CID 4244905
2-((3R)-oxolan-3-yl)acetic acid
CID 14962792
(S)-2-(Tetrahydrofuran-3-YL)acetic acid
CID 14962793
2-Fluoro-2-(oxolan-3-yl)acetic acid
CID 81358717
3-(2-Hydroxyethyl)oxolan-2-one
CID 14047240
2-(5-Oxooxolan-3-yl)acetic acid
CID 21927831
2-[(3S)-2-oxooxolan-3-yl]acetic acid
CID 92978281
2-(3-Fluorotetrahydrofuran-3-yl)acetic acid
CID 83815288
2-(4-Fluorooxolan-3-yl)acetic acid
CID 84763053
rac-2-[(3R,4R)-4-fluorooxolan-3-yl]acetic acid
CID 105531111

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-1-iodoethyl)oxolan-2-one?
The IUPAC name of 4-(2-hydroxy-1-iodoethyl)oxolan-2-one (CID 10515212) is 4-(2-hydroxy-1-iodoethyl)oxolan-2-one.
What is the SMILES notation for 4-(2-hydroxy-1-iodoethyl)oxolan-2-one?
The canonical SMILES for 4-(2-hydroxy-1-iodoethyl)oxolan-2-one is O=C1CC(C(I)CO)CO1.
What is the InChIKey of 4-(2-hydroxy-1-iodoethyl)oxolan-2-one?
The InChIKey is IVEGQEPZCFSPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IO3/c7-5(2-8)4-1-6(9)10-3-4/h4-5,8H,1-3H2.
What are the key properties of 4-(2-hydroxy-1-iodoethyl)oxolan-2-one?
4-(2-hydroxy-1-iodoethyl)oxolan-2-one has a molecular weight of 256.04 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-1-iodoethyl)oxolan-2-one is sourced from PubChem (CID 10515212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).