6-hydroxy-2,5,6-trimethylpyran-3-one

C8H12O3 — CID 130036364

IUPAC6-hydroxy-2,5,6-trimethylpyran-3-one
SMILESCC1=CC(=O)C(C)OC1(C)O
InChIInChI=1S/C8H12O3/c1-5-4-7(9)6(2)11-8(5,3)10/h4,6,10H,1-3H3
InChIKeyPBKYIKPSTAUGAC-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds

About 6-hydroxy-2,5,6-trimethylpyran-3-one

6-hydroxy-2,5,6-trimethylpyran-3-one (PubChem CID 130036364) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-hydroxy-2,5,6-trimethylpyran-3-one.

Molecular Properties

Compound Name6-hydroxy-2,5,6-trimethylpyran-3-one
PubChem CID130036364
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name6-hydroxy-2,5,6-trimethylpyran-3-one
SMILESCC1=CC(=O)C(C)OC1(C)O
InChIInChI=1S/C8H12O3/c1-5-4-7(9)6(2)11-8(5,3)10/h4,6,10H,1-3H3
InChIKeyPBKYIKPSTAUGAC-UHFFFAOYSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-2,6-dimethyl-2H-pyran-3(6H)-one
CID 11040796
6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787
L-aculose
CID 71407800
Hydroxy-2-methyl-2h-pyran-3-(6h)one
CID 129720139
2-hydroxy-4,6-dimethyl-2H-pyran-5-one
CID 135035537
Ctk0I7202
CID 11029859
(2R,6S)-6-hydroxy-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975691
(6S)-2-hydroxy-6-methyl-2H-pyran-5-one
CID 13011788
(2S)-2-[(2S)-but-3-en-2-yl]-6-hydroxy-6-methylpyran-3-one
CID 45139862
2-hydroxy-4-methyl-2H-pyran-5-one
CID 130031729
(2R)-6-hydroxy-6-methyl-2-prop-2-enylpyran-3-one
CID 130623308
2-hydroxy-3-methyl-2H-pyran-5-one
CID 166438067

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,5,6-trimethylpyran-3-one?
The IUPAC name of 6-hydroxy-2,5,6-trimethylpyran-3-one (CID 130036364) is 6-hydroxy-2,5,6-trimethylpyran-3-one.
What is the SMILES notation for 6-hydroxy-2,5,6-trimethylpyran-3-one?
The canonical SMILES for 6-hydroxy-2,5,6-trimethylpyran-3-one is CC1=CC(=O)C(C)OC1(C)O.
What is the InChIKey of 6-hydroxy-2,5,6-trimethylpyran-3-one?
The InChIKey is PBKYIKPSTAUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-4-7(9)6(2)11-8(5,3)10/h4,6,10H,1-3H3.
What are the key properties of 6-hydroxy-2,5,6-trimethylpyran-3-one?
6-hydroxy-2,5,6-trimethylpyran-3-one has a molecular weight of 156.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,5,6-trimethylpyran-3-one is sourced from PubChem (CID 130036364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).