5-(1-iodoethyl)oxolan-2-one

C6H9IO2 — CID 101198694

IUPAC5-(1-iodoethyl)oxolan-2-one
SMILESCC(I)C1CCC(=O)O1
InChIInChI=1S/C6H9IO2/c1-4(7)5-2-3-6(8)9-5/h4-5H,2-3H2,1H3
InChIKeyPXQDMYQGAHQDPY-UHFFFAOYSA-N
MW240.04 g/mol
LogP1.52
Rot. Bonds1

About 5-(1-iodoethyl)oxolan-2-one

5-(1-iodoethyl)oxolan-2-one (PubChem CID 101198694) has the molecular formula C6H9IO2 and a molecular weight of 240.04 g/mol. Its IUPAC name is 5-(1-iodoethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(1-iodoethyl)oxolan-2-one
PubChem CID101198694
Molecular FormulaC6H9IO2
Molecular Weight240.04 g/mol
Exact Mass239.96
IUPAC Name5-(1-iodoethyl)oxolan-2-one
SMILESCC(I)C1CCC(=O)O1
InChIInChI=1S/C6H9IO2/c1-4(7)5-2-3-6(8)9-5/h4-5H,2-3H2,1H3
InChIKeyPXQDMYQGAHQDPY-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 51.52
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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Related Compounds

(3R)-3-[(1R)-1-iodoethyl]-1,4-dioxepan-5-one
CID 10084467
(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one
CID 130877549
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
CID 135037990
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide
CID 153078842
4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one
CID 155596266
(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one
CID 45113846
5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374785
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
(5S)-5-[(S)-bromo(cyclohexyl)methyl]oxolan-2-one
CID 134945865
5-methyloxolan-2-one
CID 69397003

Frequently Asked Questions

What is the IUPAC name of 5-(1-iodoethyl)oxolan-2-one?
The IUPAC name of 5-(1-iodoethyl)oxolan-2-one (CID 101198694) is 5-(1-iodoethyl)oxolan-2-one.
What is the SMILES notation for 5-(1-iodoethyl)oxolan-2-one?
The canonical SMILES for 5-(1-iodoethyl)oxolan-2-one is CC(I)C1CCC(=O)O1.
What is the InChIKey of 5-(1-iodoethyl)oxolan-2-one?
The InChIKey is PXQDMYQGAHQDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IO2/c1-4(7)5-2-3-6(8)9-5/h4-5H,2-3H2,1H3.
What are the key properties of 5-(1-iodoethyl)oxolan-2-one?
5-(1-iodoethyl)oxolan-2-one has a molecular weight of 240.04 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-iodoethyl)oxolan-2-one is sourced from PubChem (CID 101198694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).