(2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one

C11H16O3 — CID 54719583

IUPAC(2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(O)[C@@H](C(C)(C)C)OC1=O
InChIInChI=1S/C11H16O3/c1-5-6-7-8(12)9(11(2,3)4)14-10(7)13/h5,9,12H,1,6H2,2-4H3/t9-/m0/s1
InChIKeyYHUABHQBVYETJK-VIFPVBQESA-N
MW196.25 g/mol
LogP2.35
Rot. Bonds2

About (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one

(2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one (PubChem CID 54719583) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one
PubChem CID54719583
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(O)[C@@H](C(C)(C)C)OC1=O
InChIInChI=1S/C11H16O3/c1-5-6-7-8(12)9(11(2,3)4)14-10(7)13/h5,9,12H,1,6H2,2-4H3/t9-/m0/s1
InChIKeyYHUABHQBVYETJK-VIFPVBQESA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one?
The IUPAC name of (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one (CID 54719583) is (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one is C=CCC1=C(O)[C@@H](C(C)(C)C)OC1=O.
What is the InChIKey of (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one?
The InChIKey is YHUABHQBVYETJK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16O3/c1-5-6-7-8(12)9(11(2,3)4)14-10(7)13/h5,9,12H,1,6H2,2-4H3/t9-/m0/s1.
What are the key properties of (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one?
(2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one has a molecular weight of 196.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-3-hydroxy-4-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 54719583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).