4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one

C12H18O4 — CID 170989870

IUPAC4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one
SMILESCCC(C)[C@H](O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C12H18O4/c1-4-7(2)10(13)5-9-6-11(14)8(3)12(15)16-9/h6-7,10,13-14H,4-5H2,1-3H3/t7?,10-/m1/s1
InChIKeyAXIRFXVIXGUEHT-OMNKOJBGSA-N
MW226.27 g/mol
LogP1.60
Rot. Bonds4

About 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one

4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one (PubChem CID 170989870) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one
PubChem CID170989870
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one
SMILESCCC(C)[C@H](O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C12H18O4/c1-4-7(2)10(13)5-9-6-11(14)8(3)12(15)16-9/h6-7,10,13-14H,4-5H2,1-3H3/t7?,10-/m1/s1
InChIKeyAXIRFXVIXGUEHT-OMNKOJBGSA-N
XLogP1.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-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 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one?
The IUPAC name of 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one (CID 170989870) is 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one is CCC(C)[C@H](O)Cc1cc(O)c(C)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one?
The InChIKey is AXIRFXVIXGUEHT-OMNKOJBGSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-7(2)10(13)5-9-6-11(14)8(3)12(15)16-9/h6-7,10,13-14H,4-5H2,1-3H3/t7?,10-/m1/s1.
What are the key properties of 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one?
4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one has a molecular weight of 226.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(2R)-2-hydroxy-3-methylpentyl]-3-methylpyran-2-one is sourced from PubChem (CID 170989870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).