[2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate

C10H15IO5 — CID 155395409

IUPAC[2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate
SMILESCCCC(=O)OCC1(COI)CCC(=O)O1
InChIInChI=1S/C10H15IO5/c1-2-3-8(12)14-6-10(7-15-11)5-4-9(13)16-10/h2-7H2,1H3
InChIKeyAVGKTTDCNDEECJ-UHFFFAOYSA-N
MW342.13 g/mol
LogP1.77
Rot. Bonds6

About [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate

[2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate (PubChem CID 155395409) has the molecular formula C10H15IO5 and a molecular weight of 342.13 g/mol. Its IUPAC name is [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate.

Molecular Properties

Compound Name[2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate
PubChem CID155395409
Molecular FormulaC10H15IO5
Molecular Weight342.13 g/mol
Exact Mass342.00
IUPAC Name[2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate
SMILESCCCC(=O)OCC1(COI)CCC(=O)O1
InChIInChI=1S/C10H15IO5/c1-2-3-8(12)14-6-10(7-15-11)5-4-9(13)16-10/h2-7H2,1H3
InChIKeyAVGKTTDCNDEECJ-UHFFFAOYSA-N
XLogP1.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-oxo-2-(phenoxymethyl)oxolan-2-yl]methyl heptanoate
CID 155395454
[5-oxo-2-(phenylmethoxymethyl)oxolan-2-yl]methyl octanoate
CID 155395352
[2-(nitrosomethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 155395441
[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate
CID 163095762
5,5-bis(sulfanylmethyl)oxolan-2-one
CID 139621524
2-ethoxy-5-oxooxolane-2-carboxamide
CID 91082721
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
(2-methyl-5-oxo-1,3-oxathiolan-2-yl) butanoate
CID 18002496
methyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
CID 14542737
2-butanoyloxyethyl butanoate;methane
CID 161018761

Frequently Asked Questions

What is the IUPAC name of [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate?
The IUPAC name of [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate (CID 155395409) is [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate.
What is the SMILES notation for [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate?
The canonical SMILES for [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate is CCCC(=O)OCC1(COI)CCC(=O)O1.
What is the InChIKey of [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate?
The InChIKey is AVGKTTDCNDEECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IO5/c1-2-3-8(12)14-6-10(7-15-11)5-4-9(13)16-10/h2-7H2,1H3.
What are the key properties of [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate?
[2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate has a molecular weight of 342.13 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(iodooxymethyl)-5-oxooxolan-2-yl]methyl butanoate is sourced from PubChem (CID 155395409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).