3,4-dihydroxyoxolan-2-one

C4H6O4 — CID 536124

IUPAC3,4-dihydroxyoxolan-2-one
SMILESO=C1OCC(O)C1O
InChIInChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2
InChIKeySGMJBNSHAZVGMC-UHFFFAOYSA-N
MW118.09 g/mol
LogP-1.74
Rot. Bonds

About 3,4-dihydroxyoxolan-2-one

3,4-dihydroxyoxolan-2-one (PubChem CID 536124) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is 3,4-dihydroxyoxolan-2-one.

Molecular Properties

Compound Name3,4-dihydroxyoxolan-2-one
PubChem CID536124
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name3,4-dihydroxyoxolan-2-one
SMILESO=C1OCC(O)C1O
InChIInChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2
InChIKeySGMJBNSHAZVGMC-UHFFFAOYSA-N
XLogP-1.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxyoxolan-2-one?
The IUPAC name of 3,4-dihydroxyoxolan-2-one (CID 536124) is 3,4-dihydroxyoxolan-2-one.
What is the SMILES notation for 3,4-dihydroxyoxolan-2-one?
The canonical SMILES for 3,4-dihydroxyoxolan-2-one is O=C1OCC(O)C1O.
What is the InChIKey of 3,4-dihydroxyoxolan-2-one?
The InChIKey is SGMJBNSHAZVGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2.
What are the key properties of 3,4-dihydroxyoxolan-2-one?
3,4-dihydroxyoxolan-2-one has a molecular weight of 118.09 g/mol, XLogP of -1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxyoxolan-2-one is sourced from PubChem (CID 536124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).