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

C8H8O5 — CID 24864463

IUPAC(5-hydroxy-2-oxopyran-4-yl)methyl acetate
SMILESCC(=O)OCc1cc(=O)occ1O
InChIInChI=1S/C8H8O5/c1-5(9)12-3-6-2-8(11)13-4-7(6)10/h2,4,10H,3H2,1H3
InChIKeyABVVAMNPGZCMOL-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.41
Rot. Bonds2

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

(5-hydroxy-2-oxopyran-4-yl)methyl acetate (PubChem CID 24864463) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is (5-hydroxy-2-oxopyran-4-yl)methyl acetate.

Molecular Properties

Compound Name(5-hydroxy-2-oxopyran-4-yl)methyl acetate
PubChem CID24864463
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(5-hydroxy-2-oxopyran-4-yl)methyl acetate
SMILESCC(=O)OCc1cc(=O)occ1O
InChIInChI=1S/C8H8O5/c1-5(9)12-3-6-2-8(11)13-4-7(6)10/h2,4,10H,3H2,1H3
InChIKeyABVVAMNPGZCMOL-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-oxopyran-4-yl)methyl acetate?
The IUPAC name of (5-hydroxy-2-oxopyran-4-yl)methyl acetate (CID 24864463) is (5-hydroxy-2-oxopyran-4-yl)methyl acetate.
What is the SMILES notation for (5-hydroxy-2-oxopyran-4-yl)methyl acetate?
The canonical SMILES for (5-hydroxy-2-oxopyran-4-yl)methyl acetate is CC(=O)OCc1cc(=O)occ1O.
What is the InChIKey of (5-hydroxy-2-oxopyran-4-yl)methyl acetate?
The InChIKey is ABVVAMNPGZCMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-5(9)12-3-6-2-8(11)13-4-7(6)10/h2,4,10H,3H2,1H3.
What are the key properties of (5-hydroxy-2-oxopyran-4-yl)methyl acetate?
(5-hydroxy-2-oxopyran-4-yl)methyl acetate has a molecular weight of 184.15 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-oxopyran-4-yl)methyl acetate is sourced from PubChem (CID 24864463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).