3-hydroxyoxolan-2-one

C4H6O3 — CID 545831

IUPAC3-hydroxyoxolan-2-one
SMILESO=C1OCCC1O
InChIInChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2
InChIKeyFWIBCWKHNZBDLS-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.71
Rot. Bonds

About 3-hydroxyoxolan-2-one

3-hydroxyoxolan-2-one (PubChem CID 545831) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is 3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name3-hydroxyoxolan-2-one
PubChem CID545831
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name3-hydroxyoxolan-2-one
SMILESO=C1OCCC1O
InChIInChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2
InChIKeyFWIBCWKHNZBDLS-UHFFFAOYSA-N
XLogP-0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyoxolan-2-one?
The IUPAC name of 3-hydroxyoxolan-2-one (CID 545831) is 3-hydroxyoxolan-2-one.
What is the SMILES notation for 3-hydroxyoxolan-2-one?
The canonical SMILES for 3-hydroxyoxolan-2-one is O=C1OCCC1O.
What is the InChIKey of 3-hydroxyoxolan-2-one?
The InChIKey is FWIBCWKHNZBDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2.
What are the key properties of 3-hydroxyoxolan-2-one?
3-hydroxyoxolan-2-one has a molecular weight of 102.09 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyoxolan-2-one is sourced from PubChem (CID 545831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).