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

C7H8O5 — CID 54703187

IUPACmethyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate
SMILESCOC(=O)CC1OC(=O)C=C1O
InChIInChI=1S/C7H8O5/c1-11-6(9)3-5-4(8)2-7(10)12-5/h2,5,8H,3H2,1H3
InChIKeyPIUMIORYYMDCRE-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.08
Rot. Bonds2

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

methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate (PubChem CID 54703187) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate
PubChem CID54703187
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Namemethyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate
SMILESCOC(=O)CC1OC(=O)C=C1O
InChIInChI=1S/C7H8O5/c1-11-6(9)3-5-4(8)2-7(10)12-5/h2,5,8H,3H2,1H3
InChIKeyPIUMIORYYMDCRE-UHFFFAOYSA-N
XLogP-0.08
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate?
The IUPAC name of methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate (CID 54703187) is methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate?
The canonical SMILES for methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate is COC(=O)CC1OC(=O)C=C1O.
What is the InChIKey of methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate?
The InChIKey is PIUMIORYYMDCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5/c1-11-6(9)3-5-4(8)2-7(10)12-5/h2,5,8H,3H2,1H3.
What are the key properties of methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate?
methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate has a molecular weight of 172.14 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-5-oxo-2H-furan-2-yl)acetate is sourced from PubChem (CID 54703187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).