(2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one

C6H8O3 — CID 71407800

IUPAC(2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one
SMILESC[C@@H]1O[C@H](O)C=CC1=O
InChIInChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-4,6,8H,1H3/t4-,6-/m0/s1
InChIKeyPLYSJDAYJMFETG-NJGYIYPDSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds

About (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one

(2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one (PubChem CID 71407800) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one
PubChem CID71407800
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one
SMILESC[C@@H]1O[C@H](O)C=CC1=O
InChIInChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-4,6,8H,1H3/t4-,6-/m0/s1
InChIKeyPLYSJDAYJMFETG-NJGYIYPDSA-N
XLogP-0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dideoxyglucosone-3-ene
CID 15485370
6-hydroxy-2H-pyran-3(6H)-one
CID 10855419
6-methoxy-3,6-dihydro-2H-pyran-3-one
CID 13011785
2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
Methyl 2,3,6-trideoxy-alpha-glycero-hex-2-enopyranosid-4-ulose
CID 3082380
2-Ethyl-6-hydroxy-2H-pyran-3(6H)-one
CID 337011
(2R,6S)-2-methoxy-6-methyl-2H-pyran-5-one
CID 11073522
2-methyl-6-acetoxy-3-oxo-3,6-dihydro-2H-pyran
CID 13031642
6-Hydroxy-6-methylpyran-3-one
CID 14827349
6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
CID 13929384
6-hydroxy-2,6-dimethyl-2H-pyran-3(6H)-one
CID 11040796
6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one?
The IUPAC name of (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one (CID 71407800) is (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one is C[C@@H]1O[C@H](O)C=CC1=O.
What is the InChIKey of (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one?
The InChIKey is PLYSJDAYJMFETG-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-4,6,8H,1H3/t4-,6-/m0/s1.
What are the key properties of (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one?
(2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one has a molecular weight of 128.13 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-hydroxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 71407800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).