(2S)-2,6-diethyl-6-hydroxypyran-3-one

C9H14O3 — CID 101482340

IUPAC(2S)-2,6-diethyl-6-hydroxypyran-3-one
SMILESCC[C@@H]1OC(O)(CC)C=CC1=O
InChIInChI=1S/C9H14O3/c1-3-8-7(10)5-6-9(11,4-2)12-8/h5-6,8,11H,3-4H2,1-2H3/t8-,9?/m0/s1
InChIKeyFKHMZIYNKQDLPH-IENPIDJESA-N
MW170.21 g/mol
LogP1.02
Rot. Bonds2

About (2S)-2,6-diethyl-6-hydroxypyran-3-one

(2S)-2,6-diethyl-6-hydroxypyran-3-one (PubChem CID 101482340) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S)-2,6-diethyl-6-hydroxypyran-3-one.

Molecular Properties

Compound Name(2S)-2,6-diethyl-6-hydroxypyran-3-one
PubChem CID101482340
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2S)-2,6-diethyl-6-hydroxypyran-3-one
SMILESCC[C@@H]1OC(O)(CC)C=CC1=O
InChIInChI=1S/C9H14O3/c1-3-8-7(10)5-6-9(11,4-2)12-8/h5-6,8,11H,3-4H2,1-2H3/t8-,9?/m0/s1
InChIKeyFKHMZIYNKQDLPH-IENPIDJESA-N
XLogP1.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
2-Ethyl-6-hydroxy-2H-pyran-3(6H)-one
CID 337011
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
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
L-aculose
CID 71407800
Hydroxy-2-methyl-2h-pyran-3-(6h)one
CID 129720139
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
Ctk0I7202
CID 11029859
6-Hydroxy-6-methyl-2-propan-2-ylpyran-3-one
CID 11194577
(2R,6S)-6-hydroxy-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975691

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diethyl-6-hydroxypyran-3-one?
The IUPAC name of (2S)-2,6-diethyl-6-hydroxypyran-3-one (CID 101482340) is (2S)-2,6-diethyl-6-hydroxypyran-3-one.
What is the SMILES notation for (2S)-2,6-diethyl-6-hydroxypyran-3-one?
The canonical SMILES for (2S)-2,6-diethyl-6-hydroxypyran-3-one is CC[C@@H]1OC(O)(CC)C=CC1=O.
What is the InChIKey of (2S)-2,6-diethyl-6-hydroxypyran-3-one?
The InChIKey is FKHMZIYNKQDLPH-IENPIDJESA-N. The full InChI is InChI=1S/C9H14O3/c1-3-8-7(10)5-6-9(11,4-2)12-8/h5-6,8,11H,3-4H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2,6-diethyl-6-hydroxypyran-3-one?
(2S)-2,6-diethyl-6-hydroxypyran-3-one has a molecular weight of 170.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diethyl-6-hydroxypyran-3-one is sourced from PubChem (CID 101482340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).