[2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate

C9H10O6 — CID 14024673

IUPAC[2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate
SMILESCC(=O)OC1(C2OCCO2)C=CC(=O)O1
InChIInChI=1S/C9H10O6/c1-6(10)14-9(3-2-7(11)15-9)8-12-4-5-13-8/h2-3,8H,4-5H2,1H3
InChIKeyZTFIDNLFBAZPMV-UHFFFAOYSA-N
MW214.17 g/mol
LogP-0.27
Rot. Bonds2

About [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate

[2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate (PubChem CID 14024673) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate
PubChem CID14024673
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Name[2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate
SMILESCC(=O)OC1(C2OCCO2)C=CC(=O)O1
InChIInChI=1S/C9H10O6/c1-6(10)14-9(3-2-7(11)15-9)8-12-4-5-13-8/h2-3,8H,4-5H2,1H3
InChIKeyZTFIDNLFBAZPMV-UHFFFAOYSA-N
XLogP-0.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate?
The IUPAC name of [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate (CID 14024673) is [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate is CC(=O)OC1(C2OCCO2)C=CC(=O)O1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate?
The InChIKey is ZTFIDNLFBAZPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c1-6(10)14-9(3-2-7(11)15-9)8-12-4-5-13-8/h2-3,8H,4-5H2,1H3.
What are the key properties of [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate?
[2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate has a molecular weight of 214.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)-5-oxofuran-2-yl] acetate is sourced from PubChem (CID 14024673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).