5-(2-hydroxyacetyl)oxolan-2-one

C6H8O4 — CID 69254200

IUPAC5-(2-hydroxyacetyl)oxolan-2-one
SMILESO=C1CCC(C(=O)CO)O1
InChIInChI=1S/C6H8O4/c7-3-4(8)5-1-2-6(9)10-5/h5,7H,1-3H2
InChIKeyYKWYUUAJMZOTIU-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.75
Rot. Bonds2

About 5-(2-hydroxyacetyl)oxolan-2-one

5-(2-hydroxyacetyl)oxolan-2-one (PubChem CID 69254200) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 5-(2-hydroxyacetyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-hydroxyacetyl)oxolan-2-one
PubChem CID69254200
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name5-(2-hydroxyacetyl)oxolan-2-one
SMILESO=C1CCC(C(=O)CO)O1
InChIInChI=1S/C6H8O4/c7-3-4(8)5-1-2-6(9)10-5/h5,7H,1-3H2
InChIKeyYKWYUUAJMZOTIU-UHFFFAOYSA-N
XLogP-0.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxyacetyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyacetyl)oxolan-2-one?
The IUPAC name of 5-(2-hydroxyacetyl)oxolan-2-one (CID 69254200) is 5-(2-hydroxyacetyl)oxolan-2-one.
What is the SMILES notation for 5-(2-hydroxyacetyl)oxolan-2-one?
The canonical SMILES for 5-(2-hydroxyacetyl)oxolan-2-one is O=C1CCC(C(=O)CO)O1.
What is the InChIKey of 5-(2-hydroxyacetyl)oxolan-2-one?
The InChIKey is YKWYUUAJMZOTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-3-4(8)5-1-2-6(9)10-5/h5,7H,1-3H2.
What are the key properties of 5-(2-hydroxyacetyl)oxolan-2-one?
5-(2-hydroxyacetyl)oxolan-2-one has a molecular weight of 144.13 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyacetyl)oxolan-2-one is sourced from PubChem (CID 69254200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).