2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one

C8H12O4 — CID 56635827

IUPAC2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one
SMILESCCC1C=C(OC)C(=O)C(O)O1
InChIInChI=1S/C8H12O4/c1-3-5-4-6(11-2)7(9)8(10)12-5/h4-5,8,10H,3H2,1-2H3
InChIKeyFYVFKBDYSBSGAF-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.21
Rot. Bonds2

About 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one

2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one (PubChem CID 56635827) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one.

Molecular Properties

Compound Name2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one
PubChem CID56635827
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one
SMILESCCC1C=C(OC)C(=O)C(O)O1
InChIInChI=1S/C8H12O4/c1-3-5-4-6(11-2)7(9)8(10)12-5/h4-5,8,10H,3H2,1-2H3
InChIKeyFYVFKBDYSBSGAF-UHFFFAOYSA-N
XLogP0.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-deoxy-6-O-methyl-L-threo-hex-4-enopyranuronate
CID 134820351
4,6-Dimethoxy-2-methyl-2H-pyran-3(6H)-one
CID 20348359
Methyl(methyl-4-deoxybetal-threo-hex-4-enopyranosid)uronate
CID 6421196
Penisterine D
CID 170990689
Methyl(methyl-4-deoxy-2-O-methylbetal-threo-hex-4-enolpyranosid)uronate
CID 6421442
methyl (2S,3R,4S)-3,4-dihydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 101690764
2,4-Dihydroxy-2-methyl-2H-pyran-3(6H)-one
CID 15120158
4,6-dihydroxy-2H-pyran-5-one
CID 20246477
4,6-Dihydroxy-2-(hydroxymethyl)-2H-pyran-5-one
CID 20246480
6-hydroxy-2-methyl-2H-pyran-5-one
CID 23563589
methyl 2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 68676483
2-hydroxy-4-methoxy-6-methyl-2H-pyran-5-one
CID 70598170

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one?
The IUPAC name of 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one (CID 56635827) is 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one.
What is the SMILES notation for 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one?
The canonical SMILES for 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one is CCC1C=C(OC)C(=O)C(O)O1.
What is the InChIKey of 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one?
The InChIKey is FYVFKBDYSBSGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-3-5-4-6(11-2)7(9)8(10)12-5/h4-5,8,10H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one?
2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one has a molecular weight of 172.18 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydroxy-4-methoxy-2H-pyran-5-one is sourced from PubChem (CID 56635827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).