5-butyl-2-ethyl-4-hydroxyfuran-3-one

C10H16O3 — CID 139618145

IUPAC5-butyl-2-ethyl-4-hydroxyfuran-3-one
SMILESCCCCC1=C(O)C(=O)C(CC)O1
InChIInChI=1S/C10H16O3/c1-3-5-6-8-10(12)9(11)7(4-2)13-8/h7,12H,3-6H2,1-2H3
InChIKeyGVDHETVJIDJSLC-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.32
Rot. Bonds4

About 5-butyl-2-ethyl-4-hydroxyfuran-3-one

5-butyl-2-ethyl-4-hydroxyfuran-3-one (PubChem CID 139618145) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-butyl-2-ethyl-4-hydroxyfuran-3-one.

Molecular Properties

Compound Name5-butyl-2-ethyl-4-hydroxyfuran-3-one
PubChem CID139618145
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-butyl-2-ethyl-4-hydroxyfuran-3-one
SMILESCCCCC1=C(O)C(=O)C(CC)O1
InChIInChI=1S/C10H16O3/c1-3-5-6-8-10(12)9(11)7(4-2)13-8/h7,12H,3-6H2,1-2H3
InChIKeyGVDHETVJIDJSLC-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-ethyl-4-hydroxyfuran-3-one?
The IUPAC name of 5-butyl-2-ethyl-4-hydroxyfuran-3-one (CID 139618145) is 5-butyl-2-ethyl-4-hydroxyfuran-3-one.
What is the SMILES notation for 5-butyl-2-ethyl-4-hydroxyfuran-3-one?
The canonical SMILES for 5-butyl-2-ethyl-4-hydroxyfuran-3-one is CCCCC1=C(O)C(=O)C(CC)O1.
What is the InChIKey of 5-butyl-2-ethyl-4-hydroxyfuran-3-one?
The InChIKey is GVDHETVJIDJSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-6-8-10(12)9(11)7(4-2)13-8/h7,12H,3-6H2,1-2H3.
What are the key properties of 5-butyl-2-ethyl-4-hydroxyfuran-3-one?
5-butyl-2-ethyl-4-hydroxyfuran-3-one has a molecular weight of 184.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-ethyl-4-hydroxyfuran-3-one is sourced from PubChem (CID 139618145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).