methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate

C8H10O5 — CID 156580705

IUPACmethyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate
SMILESCOC(=O)CC1=C(O)C(=O)O[C@H]1C
InChIInChI=1S/C8H10O5/c1-4-5(3-6(9)12-2)7(10)8(11)13-4/h4,10H,3H2,1-2H3/t4-/m0/s1
InChIKeyGLQXWEKGNJKKDC-BYPYZUCNSA-N
MW186.16 g/mol
LogP0.31
Rot. Bonds2

About methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate

methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate (PubChem CID 156580705) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate
PubChem CID156580705
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate
SMILESCOC(=O)CC1=C(O)C(=O)O[C@H]1C
InChIInChI=1S/C8H10O5/c1-4-5(3-6(9)12-2)7(10)8(11)13-4/h4,10H,3H2,1-2H3/t4-/m0/s1
InChIKeyGLQXWEKGNJKKDC-BYPYZUCNSA-N
XLogP0.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate?
The IUPAC name of methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate (CID 156580705) is methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate is COC(=O)CC1=C(O)C(=O)O[C@H]1C.
What is the InChIKey of methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate?
The InChIKey is GLQXWEKGNJKKDC-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10O5/c1-4-5(3-6(9)12-2)7(10)8(11)13-4/h4,10H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate?
methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate has a molecular weight of 186.16 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-4-hydroxy-2-methyl-5-oxo-2H-furan-3-yl]acetate is sourced from PubChem (CID 156580705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).