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

C14H22O6 — CID 10062525

IUPAC(2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate
SMILESCCCCC1(OC(C)=O)OC(=O)C(OCC)=C1OCC
InChIInChI=1S/C14H22O6/c1-5-8-9-14(19-10(4)15)12(18-7-3)11(17-6-2)13(16)20-14/h5-9H2,1-4H3
InChIKeyCHKPHQJJJWELHU-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.28
Rot. Bonds8

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

(2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate (PubChem CID 10062525) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is (2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate.

Molecular Properties

Compound Name(2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate
PubChem CID10062525
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name(2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate
SMILESCCCCC1(OC(C)=O)OC(=O)C(OCC)=C1OCC
InChIInChI=1S/C14H22O6/c1-5-8-9-14(19-10(4)15)12(18-7-3)11(17-6-2)13(16)20-14/h5-9H2,1-4H3
InChIKeyCHKPHQJJJWELHU-UHFFFAOYSA-N
XLogP2.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate?
The IUPAC name of (2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate (CID 10062525) is (2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate.
What is the SMILES notation for (2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate?
The canonical SMILES for (2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate is CCCCC1(OC(C)=O)OC(=O)C(OCC)=C1OCC.
What is the InChIKey of (2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate?
The InChIKey is CHKPHQJJJWELHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-5-8-9-14(19-10(4)15)12(18-7-3)11(17-6-2)13(16)20-14/h5-9H2,1-4H3.
What are the key properties of (2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate?
(2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate has a molecular weight of 286.32 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-3,4-diethoxy-5-oxofuran-2-yl) acetate is sourced from PubChem (CID 10062525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).