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

C8H12O3 — CID 11126499

IUPAC6-hydroxy-2,2,6-trimethylpyran-3-one
SMILESCC1(O)C=CC(=O)C(C)(C)O1
InChIInChI=1S/C8H12O3/c1-7(2)6(9)4-5-8(3,10)11-7/h4-5,10H,1-3H3
InChIKeyNFLUURBUYXJHRE-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds

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

6-hydroxy-2,2,6-trimethylpyran-3-one (PubChem CID 11126499) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-hydroxy-2,2,6-trimethylpyran-3-one.

Molecular Properties

Compound Name6-hydroxy-2,2,6-trimethylpyran-3-one
PubChem CID11126499
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name6-hydroxy-2,2,6-trimethylpyran-3-one
SMILESCC1(O)C=CC(=O)C(C)(C)O1
InChIInChI=1S/C8H12O3/c1-7(2)6(9)4-5-8(3,10)11-7/h4-5,10H,1-3H3
InChIKeyNFLUURBUYXJHRE-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2,6-trimethylpyran-3-one?
The IUPAC name of 6-hydroxy-2,2,6-trimethylpyran-3-one (CID 11126499) is 6-hydroxy-2,2,6-trimethylpyran-3-one.
What is the SMILES notation for 6-hydroxy-2,2,6-trimethylpyran-3-one?
The canonical SMILES for 6-hydroxy-2,2,6-trimethylpyran-3-one is CC1(O)C=CC(=O)C(C)(C)O1.
What is the InChIKey of 6-hydroxy-2,2,6-trimethylpyran-3-one?
The InChIKey is NFLUURBUYXJHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-7(2)6(9)4-5-8(3,10)11-7/h4-5,10H,1-3H3.
What are the key properties of 6-hydroxy-2,2,6-trimethylpyran-3-one?
6-hydroxy-2,2,6-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-2,2,6-trimethylpyran-3-one is sourced from PubChem (CID 11126499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).