3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one

C11H12O6 — CID 141241997

IUPAC3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one
SMILESCC1=CC(=O)C(O)CO1.O=c1occcc1O
InChIInChI=1S/C6H8O3.C5H4O3/c1-4-2-5(7)6(8)3-9-4;6-4-2-1-3-8-5(4)7/h2,6,8H,3H2,1H3;1-3,6H
InChIKeyWFTJEKMWTKFXIT-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.20
Rot. Bonds

About 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one

3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one (PubChem CID 141241997) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one
PubChem CID141241997
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one
SMILESCC1=CC(=O)C(O)CO1.O=c1occcc1O
InChIInChI=1S/C6H8O3.C5H4O3/c1-4-2-5(7)6(8)3-9-4;6-4-2-1-3-8-5(4)7/h2,6,8H,3H2,1H3;1-3,6H
InChIKeyWFTJEKMWTKFXIT-UHFFFAOYSA-N
XLogP0.20
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4H-1-Benzopyran-2-carboxylic acid, 4a,8a-dihydro-7-hydroxy-4-oxo-, acetate (ester), (E)-
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2-(2-hydroxyethoxy)ethyl 3-(5-hydroxy-4-oxo-4H-pyran-2-yl)acrylate
CID 25181465
2-(2-(2-hydroxyethoxy)ethoxy)ethyl 3-(5-hydroxy-4-oxo-4H-pyran-2-yl)acrylate
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2-methoxyethyl 3-(5-hydroxy-4-oxo-4H-pyran-2-yl)acrylate
CID 44570635
2-hydroxyethyl 3-(5-hydroxy-4-oxo-4H-pyran-2-yl)acrylate
CID 44570637
6-(4-Hydroxy-3-oxopent-1-enyl)pyran-2-one
CID 162989950
(S)-3-hydroxy-5-methyl-6-(2-hydroxypropyl)-2H-pyran-2-one
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(S,e)-6-(4-hydroxy-3-oxopent-1-en-1-yl)-2h-pyran-2-one
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6-[(E)-3,4-dihydroxypent-1-enyl]pyran-2-one
CID 45359427
ethyl (E,4S,5R)-4,5-dihydroxy-6-oxohept-2-enoate
CID 92039258
Dimethyl (e)-2-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4h-pyran-2-yl]-2-butenedioate
CID 129837786

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one?
The IUPAC name of 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one (CID 141241997) is 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one?
The canonical SMILES for 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one is CC1=CC(=O)C(O)CO1.O=c1occcc1O.
What is the InChIKey of 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one?
The InChIKey is WFTJEKMWTKFXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.C5H4O3/c1-4-2-5(7)6(8)3-9-4;6-4-2-1-3-8-5(4)7/h2,6,8H,3H2,1H3;1-3,6H.
What are the key properties of 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one?
3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one has a molecular weight of 240.21 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2,3-dihydropyran-4-one;3-hydroxypyran-2-one is sourced from PubChem (CID 141241997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).