(3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate

C11H16O6 — CID 10014692

IUPAC(3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate
SMILESCCOC1=C(OCC)C(C)(OC(C)=O)OC1=O
InChIInChI=1S/C11H16O6/c1-5-14-8-9(15-6-2)11(4,16-7(3)12)17-10(8)13/h5-6H2,1-4H3
InChIKeyFRGWPLZXHOSMBS-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.11
Rot. Bonds5

About (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate

(3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate (PubChem CID 10014692) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate.

Molecular Properties

Compound Name(3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate
PubChem CID10014692
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name(3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate
SMILESCCOC1=C(OCC)C(C)(OC(C)=O)OC1=O
InChIInChI=1S/C11H16O6/c1-5-14-8-9(15-6-2)11(4,16-7(3)12)17-10(8)13/h5-6H2,1-4H3
InChIKeyFRGWPLZXHOSMBS-UHFFFAOYSA-N
XLogP1.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate?
The IUPAC name of (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate (CID 10014692) is (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate.
What is the SMILES notation for (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate?
The canonical SMILES for (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate is CCOC1=C(OCC)C(C)(OC(C)=O)OC1=O.
What is the InChIKey of (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate?
The InChIKey is FRGWPLZXHOSMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-5-14-8-9(15-6-2)11(4,16-7(3)12)17-10(8)13/h5-6H2,1-4H3.
What are the key properties of (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate?
(3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate has a molecular weight of 244.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxy-2-methyl-5-oxofuran-2-yl) acetate is sourced from PubChem (CID 10014692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).