(2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one

C8H12O3 — CID 101482341

IUPAC(2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one
SMILESCCC1(O)C=CC(=O)[C@H](C)O1
InChIInChI=1S/C8H12O3/c1-3-8(10)5-4-7(9)6(2)11-8/h4-6,10H,3H2,1-2H3/t6-,8?/m0/s1
InChIKeyVLWQANDCTPLJFS-UUEFVBAFSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds1

About (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one

(2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one (PubChem CID 101482341) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one.

Molecular Properties

Compound Name(2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one
PubChem CID101482341
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one
SMILESCCC1(O)C=CC(=O)[C@H](C)O1
InChIInChI=1S/C8H12O3/c1-3-8(10)5-4-7(9)6(2)11-8/h4-6,10H,3H2,1-2H3/t6-,8?/m0/s1
InChIKeyVLWQANDCTPLJFS-UUEFVBAFSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
L-aculose
CID 71407800
(2S,6R)-6-methyl-2-prop-2-enyl-2H-pyran-5-one
CID 72707769
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
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
(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one
CID 13011778

Frequently Asked Questions

What is the IUPAC name of (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one?
The IUPAC name of (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one (CID 101482341) is (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one.
What is the SMILES notation for (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one?
The canonical SMILES for (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one is CCC1(O)C=CC(=O)[C@H](C)O1.
What is the InChIKey of (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one?
The InChIKey is VLWQANDCTPLJFS-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-8(10)5-4-7(9)6(2)11-8/h4-6,10H,3H2,1-2H3/t6-,8?/m0/s1.
What are the key properties of (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one?
(2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one has a molecular weight of 156.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-ethyl-6-hydroxy-2-methylpyran-3-one is sourced from PubChem (CID 101482341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).