2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one

C8H10O4 — CID 164679523

IUPAC2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one
SMILESCC(=O)CC1OC(O)C=CC1=O
InChIInChI=1S/C8H10O4/c1-5(9)4-7-6(10)2-3-8(11)12-7/h2-3,7-8,11H,4H2,1H3
InChIKeyBGUMAXYBQBKQKB-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.19
Rot. Bonds2

About 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one

2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one (PubChem CID 164679523) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one
PubChem CID164679523
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one
SMILESCC(=O)CC1OC(O)C=CC1=O
InChIInChI=1S/C8H10O4/c1-5(9)4-7-6(10)2-3-8(11)12-7/h2-3,7-8,11H,4H2,1H3
InChIKeyBGUMAXYBQBKQKB-UHFFFAOYSA-N
XLogP-0.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-6-hydroxy-2H-pyran-3(6H)-one
CID 337011
ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
CID 14358753
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one
CID 13011778
(2r)-6-Hydroxy-2-(ethoxycarbonylmethyl)-2h-pyran-3(6h)-one
CID 14358754
6-butyl-2-hydroxy-2H-pyran-5-one
CID 14641211
(6R)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
CID 45083084
2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
CID 71439059
2-hydroxy-6-(2-methylpropyl)-2H-pyran-5-one
CID 130036311
(6S)-6-but-3-enyl-2-hydroxy-2H-pyran-5-one
CID 130629345
(6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
CID 166437379
methyl (2R)-2-(2-hydroxy-5-oxo-2H-pyran-6-yl)propanoate
CID 354569

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one (CID 164679523) is 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one is CC(=O)CC1OC(O)C=CC1=O.
What is the InChIKey of 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one?
The InChIKey is BGUMAXYBQBKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5(9)4-7-6(10)2-3-8(11)12-7/h2-3,7-8,11H,4H2,1H3.
What are the key properties of 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one?
2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one has a molecular weight of 170.16 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one is sourced from PubChem (CID 164679523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).