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

C10H16O3 — CID 59928527

IUPAC2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one
SMILESCCC1OC(=O)C(C)=C(O)C1CC
InChIInChI=1S/C10H16O3/c1-4-7-8(5-2)13-10(12)6(3)9(7)11/h7-8,11H,4-5H2,1-3H3
InChIKeyCWBUOFCNDBVZON-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.18
Rot. Bonds2

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

2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one (PubChem CID 59928527) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one
PubChem CID59928527
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one
SMILESCCC1OC(=O)C(C)=C(O)C1CC
InChIInChI=1S/C10H16O3/c1-4-7-8(5-2)13-10(12)6(3)9(7)11/h7-8,11H,4-5H2,1-3H3
InChIKeyCWBUOFCNDBVZON-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-5-methyl-2-(4-methylpentyl)-2,3-dihydropyran-6-one
CID 122403122
Alkyldihydropyrone B
CID 139583366
Alkyldihydropyrone C
CID 139586187
Alkyldihydropyrone D
CID 139587919
Alkyldihydropyrone A
CID 156580407
4-Hydroxy-2-propan-2-yl-2,3-dihydropyran-6-one
CID 54713230
(2R,3S)-2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one
CID 71352847
4,5-diethyl-2-hydroxy-2,3-dimethyl-3H-pyran-6-one
CID 101410605
(2S,3R)-4-hydroxy-3,5-dimethyl-2-[(2E)-4-methylpenta-2,4-dien-2-yl]-2,3-dihydropyran-6-one
CID 134895370
4,5,7,8-Tetramethyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one
CID 134919638
Sydowiones B
CID 170989870
Sydowiones A
CID 170989871

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one (CID 59928527) is 2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one is CCC1OC(=O)C(C)=C(O)C1CC.
What is the InChIKey of 2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one?
The InChIKey is CWBUOFCNDBVZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-7-8(5-2)13-10(12)6(3)9(7)11/h7-8,11H,4-5H2,1-3H3.
What are the key properties of 2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one?
2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one has a molecular weight of 184.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4-hydroxy-5-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 59928527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).