(2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one

C11H16O4 — CID 134860607

IUPAC(2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one
SMILESCC(=O)C1=CC(=O)[C@@H](C(C)C)OC1(C)O
InChIInChI=1S/C11H16O4/c1-6(2)10-9(13)5-8(7(3)12)11(4,14)15-10/h5-6,10,14H,1-4H3/t10-,11?/m1/s1
InChIKeyWRGZKSVOATZRRS-NFJWQWPMSA-N
MW212.24 g/mol
LogP0.83
Rot. Bonds2

About (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one

(2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one (PubChem CID 134860607) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one.

Molecular Properties

Compound Name(2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one
PubChem CID134860607
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one
SMILESCC(=O)C1=CC(=O)[C@@H](C(C)C)OC1(C)O
InChIInChI=1S/C11H16O4/c1-6(2)10-9(13)5-8(7(3)12)11(4,14)15-10/h5-6,10,14H,1-4H3/t10-,11?/m1/s1
InChIKeyWRGZKSVOATZRRS-NFJWQWPMSA-N
XLogP0.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-6-methyl-2-propan-2-ylpyran-3-one
CID 11194577
(2R,6S)-6-hydroxy-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975691
(2S)-2-[(2S)-but-3-en-2-yl]-6-hydroxy-6-methylpyran-3-one
CID 45139862
(2R)-6-hydroxy-6-methyl-2-(2-methylbut-3-en-2-yl)pyran-3-one
CID 45139863
6-Hydroxy-6-methyl-2-(2-methylpropyl)pyran-3-one
CID 164676822
(2R,6S)-6-but-3-enyl-6-hydroxy-2-propan-2-ylpyran-3-one
CID 11974422
6-Hydroxy-6-pent-4-enyl-2-propan-2-ylpyran-3-one
CID 11975682
(2R,6S)-6-hex-5-enyl-6-hydroxy-2-propan-2-ylpyran-3-one
CID 11975719
5-Acetyl-6-hydroxy-6-methylpyran-3-one
CID 13974776
6-Hydroperoxy-6-methyl-2-propan-2-ylpyran-3-one
CID 15526396

Frequently Asked Questions

What is the IUPAC name of (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one?
The IUPAC name of (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one (CID 134860607) is (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one.
What is the SMILES notation for (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one?
The canonical SMILES for (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one is CC(=O)C1=CC(=O)[C@@H](C(C)C)OC1(C)O.
What is the InChIKey of (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one?
The InChIKey is WRGZKSVOATZRRS-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H16O4/c1-6(2)10-9(13)5-8(7(3)12)11(4,14)15-10/h5-6,10,14H,1-4H3/t10-,11?/m1/s1.
What are the key properties of (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one?
(2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one has a molecular weight of 212.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-acetyl-6-hydroxy-6-methyl-2-propan-2-ylpyran-3-one is sourced from PubChem (CID 134860607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).