methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate

C8H8O5 — CID 90959815

IUPACmethyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)occ1O
InChIInChI=1S/C8H8O5/c1-12-7(10)2-5-3-8(11)13-4-6(5)9/h3-4,9H,2H2,1H3
InChIKeyFUFBAWPMZYRITD-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.06
Rot. Bonds2

About methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate

methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate (PubChem CID 90959815) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate
PubChem CID90959815
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Namemethyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate
SMILESCOC(=O)Cc1cc(=O)occ1O
InChIInChI=1S/C8H8O5/c1-12-7(10)2-5-3-8(11)13-4-6(5)9/h3-4,9H,2H2,1H3
InChIKeyFUFBAWPMZYRITD-UHFFFAOYSA-N
XLogP0.06
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate?
The IUPAC name of methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate (CID 90959815) is methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate.
What is the SMILES notation for methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate?
The canonical SMILES for methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate is COC(=O)Cc1cc(=O)occ1O.
What is the InChIKey of methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate?
The InChIKey is FUFBAWPMZYRITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-12-7(10)2-5-3-8(11)13-4-6(5)9/h3-4,9H,2H2,1H3.
What are the key properties of methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate?
methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate has a molecular weight of 184.15 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-2-oxopyran-4-yl)acetate is sourced from PubChem (CID 90959815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).