5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one

C10H16O5 — CID 152666927

IUPAC5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one
SMILESCCOCC(C)C1(O)OC(=O)C=C1OC
InChIInChI=1S/C10H16O5/c1-4-14-6-7(2)10(12)8(13-3)5-9(11)15-10/h5,7,12H,4,6H2,1-3H3
InChIKeyZKSBGKMDXYYZAJ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.43
Rot. Bonds5

About 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one

5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one (PubChem CID 152666927) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one.

Molecular Properties

Compound Name5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one
PubChem CID152666927
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one
SMILESCCOCC(C)C1(O)OC(=O)C=C1OC
InChIInChI=1S/C10H16O5/c1-4-14-6-7(2)10(12)8(13-3)5-9(11)15-10/h5,7,12H,4,6H2,1-3H3
InChIKeyZKSBGKMDXYYZAJ-UHFFFAOYSA-N
XLogP0.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one?
The IUPAC name of 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one (CID 152666927) is 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one.
What is the SMILES notation for 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one?
The canonical SMILES for 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one is CCOCC(C)C1(O)OC(=O)C=C1OC.
What is the InChIKey of 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one?
The InChIKey is ZKSBGKMDXYYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-14-6-7(2)10(12)8(13-3)5-9(11)15-10/h5,7,12H,4,6H2,1-3H3.
What are the key properties of 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one?
5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one has a molecular weight of 216.23 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxypropan-2-yl)-5-hydroxy-4-methoxyfuran-2-one is sourced from PubChem (CID 152666927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).