4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one

C11H14O4 — CID 54740332

IUPAC4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one
SMILESCC(C)CC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C11H14O4/c1-7(2)3-8(12)4-10-5-9(13)6-11(14)15-10/h5-7,13H,3-4H2,1-2H3
InChIKeyGACVANPZCDHOHT-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.50
Rot. Bonds4

About 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one

4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one (PubChem CID 54740332) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one
PubChem CID54740332
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one
SMILESCC(C)CC(=O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C11H14O4/c1-7(2)3-8(12)4-10-5-9(13)6-11(14)15-10/h5-7,13H,3-4H2,1-2H3
InChIKeyGACVANPZCDHOHT-UHFFFAOYSA-N
XLogP1.50
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one (CID 54740332) is 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one is CC(C)CC(=O)Cc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one?
The InChIKey is GACVANPZCDHOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(2)3-8(12)4-10-5-9(13)6-11(14)15-10/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one?
4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(4-methyl-2-oxopentyl)pyran-2-one is sourced from PubChem (CID 54740332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).