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

C8H10O5 — CID 10932141

IUPACmethyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate
SMILESCOC(=O)CC1OC(=O)C(O)=C1C
InChIInChI=1S/C8H10O5/c1-4-5(3-6(9)12-2)13-8(11)7(4)10/h5,10H,3H2,1-2H3
InChIKeyVAGQEBRHURWYKK-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.31
Rot. Bonds2

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

methyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate (PubChem CID 10932141) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate
PubChem CID10932141
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate
SMILESCOC(=O)CC1OC(=O)C(O)=C1C
InChIInChI=1S/C8H10O5/c1-4-5(3-6(9)12-2)13-8(11)7(4)10/h5,10H,3H2,1-2H3
InChIKeyVAGQEBRHURWYKK-UHFFFAOYSA-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-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate?
The IUPAC name of methyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate (CID 10932141) is methyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate?
The canonical SMILES for methyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate is COC(=O)CC1OC(=O)C(O)=C1C.
What is the InChIKey of methyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate?
The InChIKey is VAGQEBRHURWYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-4-5(3-6(9)12-2)13-8(11)7(4)10/h5,10H,3H2,1-2H3.
What are the key properties of methyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate?
methyl 2-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-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-(4-hydroxy-3-methyl-5-oxo-2H-furan-2-yl)acetate is sourced from PubChem (CID 10932141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).