(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one

C7H10O3 — CID 13011778

IUPAC(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one
SMILESCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C7H10O3/c1-2-6-5(8)3-4-7(9)10-6/h3-4,6-7,9H,2H2,1H3/t6-,7?/m0/s1
InChIKeyYUTAFCIWIJWQIX-PKPIPKONSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one

(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one (PubChem CID 13011778) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one
PubChem CID13011778
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one
SMILESCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C7H10O3/c1-2-6-5(8)3-4-7(9)10-6/h3-4,6-7,9H,2H2,1H3/t6-,7?/m0/s1
InChIKeyYUTAFCIWIJWQIX-PKPIPKONSA-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
2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
Methyl 2,3,6-trideoxy-alpha-glycero-hex-2-enopyranosid-4-ulose
CID 3082380
2-Ethyl-6-hydroxy-2H-pyran-3(6H)-one
CID 337011
6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
CID 13929384
6-hydroxy-2,6-dimethyl-2H-pyran-3(6H)-one
CID 11040796
(2R,6S)-2-methoxy-6-methyl-2H-pyran-5-one
CID 11073522
6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
(2R)-2-hydroxy-2H-pyran-5-one
CID 18649696
L-aculose
CID 71407800
Hydroxy-2-methyl-2h-pyran-3-(6h)one
CID 129720139

Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one?
The IUPAC name of (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one (CID 13011778) is (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one is CC[C@@H]1OC(O)C=CC1=O.
What is the InChIKey of (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one?
The InChIKey is YUTAFCIWIJWQIX-PKPIPKONSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-6-5(8)3-4-7(9)10-6/h3-4,6-7,9H,2H2,1H3/t6-,7?/m0/s1.
What are the key properties of (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one?
(6S)-6-ethyl-2-hydroxy-2H-pyran-5-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 (6S)-6-ethyl-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 13011778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).