5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one

C8H10O4 — CID 155665937

IUPAC5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one
SMILESCC(C)(O)c1cc(=O)c(O)co1
InChIInChI=1S/C8H10O4/c1-8(2,11)7-3-5(9)6(10)4-12-7/h3-4,10-11H,1-2H3
InChIKeyIPTLUDYLZKYZGW-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.57
Rot. Bonds1

About 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one

5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one (PubChem CID 155665937) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one
PubChem CID155665937
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one
SMILESCC(C)(O)c1cc(=O)c(O)co1
InChIInChI=1S/C8H10O4/c1-8(2,11)7-3-5(9)6(10)4-12-7/h3-4,10-11H,1-2H3
InChIKeyIPTLUDYLZKYZGW-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one?
The IUPAC name of 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one (CID 155665937) is 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one?
The canonical SMILES for 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one is CC(C)(O)c1cc(=O)c(O)co1.
What is the InChIKey of 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one?
The InChIKey is IPTLUDYLZKYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-8(2,11)7-3-5(9)6(10)4-12-7/h3-4,10-11H,1-2H3.
What are the key properties of 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one?
5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one has a molecular weight of 170.16 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-hydroxypropan-2-yl)pyran-4-one is sourced from PubChem (CID 155665937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).