6-ethyl-6-hydroxypyran-3-one

C7H10O3 — CID 14827352

IUPAC6-ethyl-6-hydroxypyran-3-one
SMILESCCC1(O)C=CC(=O)CO1
InChIInChI=1S/C7H10O3/c1-2-7(9)4-3-6(8)5-10-7/h3-4,9H,2,5H2,1H3
InChIKeyZLOYADYIITUTGH-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About 6-ethyl-6-hydroxypyran-3-one

6-ethyl-6-hydroxypyran-3-one (PubChem CID 14827352) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 6-ethyl-6-hydroxypyran-3-one.

Molecular Properties

Compound Name6-ethyl-6-hydroxypyran-3-one
PubChem CID14827352
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name6-ethyl-6-hydroxypyran-3-one
SMILESCCC1(O)C=CC(=O)CO1
InChIInChI=1S/C7H10O3/c1-2-7(9)4-3-6(8)5-10-7/h3-4,9H,2,5H2,1H3
InChIKeyZLOYADYIITUTGH-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-2H-pyran-3(6H)-one
CID 10855419
6-Hydroxy-6-methylpyran-3-one
CID 14827349
6-hydroxy-2,6-dimethyl-2H-pyran-3(6H)-one
CID 11040796
6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787
6-Hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one
CID 14827350
(2R)-2-hydroxy-2H-pyran-5-one
CID 18649696
L-aculose
CID 71407800
Hydroxy-2-methyl-2h-pyran-3-(6h)one
CID 129720139
Ctk0I7202
CID 11029859
6-Hydroxy-2,2,6-trimethyl-2H-pyran-3(6H)-one
CID 11126499
(2S)-2-hydroxy-2H-pyran-5-one
CID 13011784
(6S)-2-hydroxy-6-methyl-2H-pyran-5-one
CID 13011788

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-hydroxypyran-3-one?
The IUPAC name of 6-ethyl-6-hydroxypyran-3-one (CID 14827352) is 6-ethyl-6-hydroxypyran-3-one.
What is the SMILES notation for 6-ethyl-6-hydroxypyran-3-one?
The canonical SMILES for 6-ethyl-6-hydroxypyran-3-one is CCC1(O)C=CC(=O)CO1.
What is the InChIKey of 6-ethyl-6-hydroxypyran-3-one?
The InChIKey is ZLOYADYIITUTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-7(9)4-3-6(8)5-10-7/h3-4,9H,2,5H2,1H3.
What are the key properties of 6-ethyl-6-hydroxypyran-3-one?
6-ethyl-6-hydroxypyran-3-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-hydroxypyran-3-one is sourced from PubChem (CID 14827352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).