5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one

C8H12O3 — CID 82254013

IUPAC5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one
SMILESCCC1=C(O)CC(C)OC1=O
InChIInChI=1S/C8H12O3/c1-3-6-7(9)4-5(2)11-8(6)10/h5,9H,3-4H2,1-2H3
InChIKeyHLUCKTXVODDJSE-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.54
Rot. Bonds1

About 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one

5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one (PubChem CID 82254013) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one
PubChem CID82254013
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one
SMILESCCC1=C(O)CC(C)OC1=O
InChIInChI=1S/C8H12O3/c1-3-6-7(9)4-5(2)11-8(6)10/h5,9H,3-4H2,1-2H3
InChIKeyHLUCKTXVODDJSE-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate
CID 54703006
4-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one
CID 54680536
Diethyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate
CID 54679331
2,6-Dimethyl-3-carboxy-5,6-dihydropyran
CID 23424108
3-Acetyl-4-hydroxy-6-methyl-5,6-dihydro-pyran-2-one
CID 54689138
4-Hydroxy-3,6-dimethyl-5,6-dihydro-2-pyrone
CID 54696332
(R)-4-Hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one
CID 71764471
4-Hydroxy-6-propenyl-5,6-dihydro-pyran-2-one
CID 139206800
4-Hydroxy-3-ethyl-6-(2-hydroxy-propyl)-2h-pyran-2-one
CID 156025234
(2S)-4-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 71354196
(2,5-Dimethyl-6-oxo-2,3-dihydropyran-4-yl) acetate
CID 14340366
2,4,5-Trimethyl-2,3-dihydropyran-6-one
CID 18538217

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one (CID 82254013) is 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one is CCC1=C(O)CC(C)OC1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one?
The InChIKey is HLUCKTXVODDJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-6-7(9)4-5(2)11-8(6)10/h5,9H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one?
5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one has a molecular weight of 156.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 82254013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).