iodo (2R)-2-(4-oxooxolan-2-yl)butanoate

C8H11IO4 — CID 56984997

IUPACiodo (2R)-2-(4-oxooxolan-2-yl)butanoate
SMILESCC[C@@H](C(=O)OI)C1CC(=O)CO1
InChIInChI=1S/C8H11IO4/c1-2-6(8(11)13-9)7-3-5(10)4-12-7/h6-7H,2-4H2,1H3/t6-,7?/m1/s1
InChIKeyVGHXTSRDHGIYDP-ULUSZKPHSA-N
MW298.08 g/mol
LogP1.26
Rot. Bonds3

About iodo (2R)-2-(4-oxooxolan-2-yl)butanoate

iodo (2R)-2-(4-oxooxolan-2-yl)butanoate (PubChem CID 56984997) has the molecular formula C8H11IO4 and a molecular weight of 298.08 g/mol. Its IUPAC name is iodo (2R)-2-(4-oxooxolan-2-yl)butanoate.

Molecular Properties

Compound Nameiodo (2R)-2-(4-oxooxolan-2-yl)butanoate
PubChem CID56984997
Molecular FormulaC8H11IO4
Molecular Weight298.08 g/mol
Exact Mass297.97
IUPAC Nameiodo (2R)-2-(4-oxooxolan-2-yl)butanoate
SMILESCC[C@@H](C(=O)OI)C1CC(=O)CO1
InChIInChI=1S/C8H11IO4/c1-2-6(8(11)13-9)7-3-5(10)4-12-7/h6-7H,2-4H2,1H3/t6-,7?/m1/s1
InChIKeyVGHXTSRDHGIYDP-ULUSZKPHSA-N
XLogP1.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo (2R)-2-(4-oxooxolan-2-yl)butanoate?
The IUPAC name of iodo (2R)-2-(4-oxooxolan-2-yl)butanoate (CID 56984997) is iodo (2R)-2-(4-oxooxolan-2-yl)butanoate.
What is the SMILES notation for iodo (2R)-2-(4-oxooxolan-2-yl)butanoate?
The canonical SMILES for iodo (2R)-2-(4-oxooxolan-2-yl)butanoate is CC[C@@H](C(=O)OI)C1CC(=O)CO1.
What is the InChIKey of iodo (2R)-2-(4-oxooxolan-2-yl)butanoate?
The InChIKey is VGHXTSRDHGIYDP-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H11IO4/c1-2-6(8(11)13-9)7-3-5(10)4-12-7/h6-7H,2-4H2,1H3/t6-,7?/m1/s1.
What are the key properties of iodo (2R)-2-(4-oxooxolan-2-yl)butanoate?
iodo (2R)-2-(4-oxooxolan-2-yl)butanoate has a molecular weight of 298.08 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodo (2R)-2-(4-oxooxolan-2-yl)butanoate is sourced from PubChem (CID 56984997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).