3-(3-hydroxy-2-iodopropyl)oxolan-2-one

C7H11IO3 — CID 11097593

IUPAC3-(3-hydroxy-2-iodopropyl)oxolan-2-one
SMILESO=C1OCCC1CC(I)CO
InChIInChI=1S/C7H11IO3/c8-6(4-9)3-5-1-2-11-7(5)10/h5-6,9H,1-4H2
InChIKeyXGSACSNVZKNJNX-UHFFFAOYSA-N
MW270.07 g/mol
LogP0.74
Rot. Bonds3

About 3-(3-hydroxy-2-iodopropyl)oxolan-2-one

3-(3-hydroxy-2-iodopropyl)oxolan-2-one (PubChem CID 11097593) has the molecular formula C7H11IO3 and a molecular weight of 270.07 g/mol. Its IUPAC name is 3-(3-hydroxy-2-iodopropyl)oxolan-2-one.

Molecular Properties

Compound Name3-(3-hydroxy-2-iodopropyl)oxolan-2-one
PubChem CID11097593
Molecular FormulaC7H11IO3
Molecular Weight270.07 g/mol
Exact Mass269.98
IUPAC Name3-(3-hydroxy-2-iodopropyl)oxolan-2-one
SMILESO=C1OCCC1CC(I)CO
InChIInChI=1S/C7H11IO3/c8-6(4-9)3-5-1-2-11-7(5)10/h5-6,9H,1-4H2
InChIKeyXGSACSNVZKNJNX-UHFFFAOYSA-N
XLogP0.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 50.74
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

3-(2-ethylbutyl)oxolan-2-one
CID 14047238
3-[(2S)-2-methyl-3-oxobutyl]oxolan-2-one
CID 46201937
3-(iodomethyl)oxolan-2-one
CID 15214158
3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one
CID 10849081
3-(2-methylpropanethioyl)oxolan-2-one
CID 134985759
(3R,4S)-4-[(2R)-1-hydroxybut-3-en-2-yl]-3-(hydroxymethyl)oxan-2-one
CID 101414288
(2-oxooxolan-3-yl)methyl acetate
CID 12039852
3-pent-4-enyloxolan-2-one
CID 139448427
3-ethyloxepan-2-one
CID 22116783
(3R)-3-(3-fluoropropyl)oxolan-2-one
CID 21309758
2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal
CID 143079941
3-[(Z)-pent-2-enyl]oxan-2-one
CID 67243802

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-iodopropyl)oxolan-2-one?
The IUPAC name of 3-(3-hydroxy-2-iodopropyl)oxolan-2-one (CID 11097593) is 3-(3-hydroxy-2-iodopropyl)oxolan-2-one.
What is the SMILES notation for 3-(3-hydroxy-2-iodopropyl)oxolan-2-one?
The canonical SMILES for 3-(3-hydroxy-2-iodopropyl)oxolan-2-one is O=C1OCCC1CC(I)CO.
What is the InChIKey of 3-(3-hydroxy-2-iodopropyl)oxolan-2-one?
The InChIKey is XGSACSNVZKNJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO3/c8-6(4-9)3-5-1-2-11-7(5)10/h5-6,9H,1-4H2.
What are the key properties of 3-(3-hydroxy-2-iodopropyl)oxolan-2-one?
3-(3-hydroxy-2-iodopropyl)oxolan-2-one has a molecular weight of 270.07 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-iodopropyl)oxolan-2-one is sourced from PubChem (CID 11097593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).