2-butyl-3-hydroxy-2H-furan-5-one

C8H12O3 — CID 54703182

IUPAC2-butyl-3-hydroxy-2H-furan-5-one
SMILESCCCCC1OC(=O)C=C1O
InChIInChI=1S/C8H12O3/c1-2-3-4-7-6(9)5-8(10)11-7/h5,7,9H,2-4H2,1H3
InChIKeyUITPKYFPXAXJHS-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.54
Rot. Bonds3

About 2-butyl-3-hydroxy-2H-furan-5-one

2-butyl-3-hydroxy-2H-furan-5-one (PubChem CID 54703182) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-butyl-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2-butyl-3-hydroxy-2H-furan-5-one
PubChem CID54703182
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-butyl-3-hydroxy-2H-furan-5-one
SMILESCCCCC1OC(=O)C=C1O
InChIInChI=1S/C8H12O3/c1-2-3-4-7-6(9)5-8(10)11-7/h5,7,9H,2-4H2,1H3
InChIKeyUITPKYFPXAXJHS-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-hydroxy-2H-furan-5-one?
The IUPAC name of 2-butyl-3-hydroxy-2H-furan-5-one (CID 54703182) is 2-butyl-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for 2-butyl-3-hydroxy-2H-furan-5-one?
The canonical SMILES for 2-butyl-3-hydroxy-2H-furan-5-one is CCCCC1OC(=O)C=C1O.
What is the InChIKey of 2-butyl-3-hydroxy-2H-furan-5-one?
The InChIKey is UITPKYFPXAXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-3-4-7-6(9)5-8(10)11-7/h5,7,9H,2-4H2,1H3.
What are the key properties of 2-butyl-3-hydroxy-2H-furan-5-one?
2-butyl-3-hydroxy-2H-furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 54703182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).