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

C11H14O5 — CID 156582562

IUPAC4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one
SMILESCC(=O)C[C@H](O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C11H14O5/c1-6(12)3-8(13)4-9-5-10(14)7(2)11(15)16-9/h5,8,13-14H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyYDQNRHQKHMTYRY-QMMMGPOBSA-N
MW226.23 g/mol
LogP0.54
Rot. Bonds4

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

4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one (PubChem CID 156582562) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one
PubChem CID156582562
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one
SMILESCC(=O)C[C@H](O)Cc1cc(O)c(C)c(=O)o1
InChIInChI=1S/C11H14O5/c1-6(12)3-8(13)4-9-5-10(14)7(2)11(15)16-9/h5,8,13-14H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyYDQNRHQKHMTYRY-QMMMGPOBSA-N
XLogP0.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one?
The IUPAC name of 4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one (CID 156582562) is 4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one is CC(=O)C[C@H](O)Cc1cc(O)c(C)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one?
The InChIKey is YDQNRHQKHMTYRY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14O5/c1-6(12)3-8(13)4-9-5-10(14)7(2)11(15)16-9/h5,8,13-14H,3-4H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one?
4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one has a molecular weight of 226.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(2R)-2-hydroxy-4-oxopentyl]-3-methylpyran-2-one is sourced from PubChem (CID 156582562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).