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

C8H12O3 — CID 54732051

IUPAC4-tert-butyl-3-hydroxy-2H-furan-5-one
SMILESCC(C)(C)C1=C(O)COC1=O
InChIInChI=1S/C8H12O3/c1-8(2,3)6-5(9)4-11-7(6)10/h9H,4H2,1-3H3
InChIKeyFCQYJJRHGZWCNZ-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.40
Rot. Bonds

About 4-tert-butyl-3-hydroxy-2H-furan-5-one

4-tert-butyl-3-hydroxy-2H-furan-5-one (PubChem CID 54732051) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-tert-butyl-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name4-tert-butyl-3-hydroxy-2H-furan-5-one
PubChem CID54732051
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-tert-butyl-3-hydroxy-2H-furan-5-one
SMILESCC(C)(C)C1=C(O)COC1=O
InChIInChI=1S/C8H12O3/c1-8(2,3)6-5(9)4-11-7(6)10/h9H,4H2,1-3H3
InChIKeyFCQYJJRHGZWCNZ-UHFFFAOYSA-N
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-hydroxy-2H-furan-5-one?
The IUPAC name of 4-tert-butyl-3-hydroxy-2H-furan-5-one (CID 54732051) is 4-tert-butyl-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for 4-tert-butyl-3-hydroxy-2H-furan-5-one?
The canonical SMILES for 4-tert-butyl-3-hydroxy-2H-furan-5-one is CC(C)(C)C1=C(O)COC1=O.
What is the InChIKey of 4-tert-butyl-3-hydroxy-2H-furan-5-one?
The InChIKey is FCQYJJRHGZWCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(2,3)6-5(9)4-11-7(6)10/h9H,4H2,1-3H3.
What are the key properties of 4-tert-butyl-3-hydroxy-2H-furan-5-one?
4-tert-butyl-3-hydroxy-2H-furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 54732051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).