(2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one

C8H12O3 — CID 71352847

IUPAC(2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one
SMILESCC[C@H]1OC(=O)C=C(O)[C@H]1C
InChIInChI=1S/C8H12O3/c1-3-7-5(2)6(9)4-8(10)11-7/h4-5,7,9H,3H2,1-2H3/t5-,7-/m1/s1
InChIKeyIPEONSXNDWWNML-IYSWYEEDSA-N
MW156.18 g/mol
LogP1.40
Rot. Bonds1

About (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one

(2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one (PubChem CID 71352847) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one
PubChem CID71352847
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one
SMILESCC[C@H]1OC(=O)C=C(O)[C@H]1C
InChIInChI=1S/C8H12O3/c1-3-7-5(2)6(9)4-8(10)11-7/h4-5,7,9H,3H2,1-2H3/t5-,7-/m1/s1
InChIKeyIPEONSXNDWWNML-IYSWYEEDSA-N
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

Analyze (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-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,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one (CID 71352847) is (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one is CC[C@H]1OC(=O)C=C(O)[C@H]1C.
What is the InChIKey of (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one?
The InChIKey is IPEONSXNDWWNML-IYSWYEEDSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-7-5(2)6(9)4-8(10)11-7/h4-5,7,9H,3H2,1-2H3/t5-,7-/m1/s1.
What are the key properties of (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one?
(2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one has a molecular weight of 156.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 71352847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).