(R)-5-methyl-tetronate

C5H5O3- — CID 162422389

IUPAC(2R)-2-methyl-5-oxo-2H-furan-3-olate
SMILESC[C@@H]1C(=CC(=O)O1)[O-]
InChIInChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3/p-1/t3-/m1/s1
InChIKeyJGAAAWQBYJNOIW-GSVOUGTGSA-M
MW113.09 g/mol
LogP0.60
Rot. Bonds

About (R)-5-methyl-tetronate

(R)-5-methyl-tetronate (PubChem CID 162422389) has the molecular formula C5H5O3- and a molecular weight of 113.09 g/mol. Its IUPAC name is (2R)-2-methyl-5-oxo-2H-furan-3-olate.

Molecular Properties

Compound Name(R)-5-methyl-tetronate
PubChem CID162422389
Molecular FormulaC5H5O3-
Molecular Weight113.09 g/mol
Exact Mass113.02
IUPAC Name(2R)-2-methyl-5-oxo-2H-furan-3-olate
SMILESC[C@@H]1C(=CC(=O)O1)[O-]
InChIInChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3/p-1/t3-/m1/s1
InChIKeyJGAAAWQBYJNOIW-GSVOUGTGSA-M
XLogP0.60
TPSA49.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity148

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-2-pentenoic acid gamma-lactone
CID 11558
5-ethyl-2(5H)-furanone
CID 16997
4-Methoxy-2,5-dihydrofuran-2-one
CID 643477
(S)-5-methylfuran-2(5H)-one
CID 9548740
4-Hydroxy-5-methyl-5H-furan-2-one
CID 54692152
(R)-(-)-2-Hexen-4-olid
CID 11137122
3-Hydroxy-5-methyl-2,5-dihydrofuran-2-one
CID 12435924
(R)-5-methylfuran-2(5H)-one
CID 9548741
(S)-5-Ethylfuran-2(5H)-one
CID 10877078
(5S)-5-(Acetyloxymethyl)-5H-furan-2-one
CID 10898935
4,5-Dimethyl-2(5h)-furanone
CID 12200171
3-Methoxy-5-methyl-2(5h)-furanone
CID 14813848

Frequently Asked Questions

What is the IUPAC name of (R)-5-methyl-tetronate?
The IUPAC name of (R)-5-methyl-tetronate (CID 162422389) is (2R)-2-methyl-5-oxo-2H-furan-3-olate.
What is the SMILES notation for (R)-5-methyl-tetronate?
The canonical SMILES for (R)-5-methyl-tetronate is C[C@@H]1C(=CC(=O)O1)[O-].
What is the InChIKey of (R)-5-methyl-tetronate?
The InChIKey is JGAAAWQBYJNOIW-GSVOUGTGSA-M. The full InChI is InChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3/p-1/t3-/m1/s1.
What are the key properties of (R)-5-methyl-tetronate?
(R)-5-methyl-tetronate has a molecular weight of 113.09 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-5-methyl-tetronate is sourced from PubChem (CID 162422389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).