4-hydroxy-4-(hydroxymethyl)oxolan-2-one

C5H8O4 — CID 18783249

IUPAC4-hydroxy-4-(hydroxymethyl)oxolan-2-one
SMILESO=C1CC(O)(CO)CO1
InChIInChI=1S/C5H8O4/c6-2-5(8)1-4(7)9-3-5/h6,8H,1-3H2
InChIKeyDKZDYOGAQSXRDO-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.34
Rot. Bonds1

About 4-hydroxy-4-(hydroxymethyl)oxolan-2-one

4-hydroxy-4-(hydroxymethyl)oxolan-2-one (PubChem CID 18783249) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is 4-hydroxy-4-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name4-hydroxy-4-(hydroxymethyl)oxolan-2-one
PubChem CID18783249
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name4-hydroxy-4-(hydroxymethyl)oxolan-2-one
SMILESO=C1CC(O)(CO)CO1
InChIInChI=1S/C5H8O4/c6-2-5(8)1-4(7)9-3-5/h6,8H,1-3H2
InChIKeyDKZDYOGAQSXRDO-UHFFFAOYSA-N
XLogP-1.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(hydroxymethyl)oxolan-2-one?
The IUPAC name of 4-hydroxy-4-(hydroxymethyl)oxolan-2-one (CID 18783249) is 4-hydroxy-4-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for 4-hydroxy-4-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for 4-hydroxy-4-(hydroxymethyl)oxolan-2-one is O=C1CC(O)(CO)CO1.
What is the InChIKey of 4-hydroxy-4-(hydroxymethyl)oxolan-2-one?
The InChIKey is DKZDYOGAQSXRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-2-5(8)1-4(7)9-3-5/h6,8H,1-3H2.
What are the key properties of 4-hydroxy-4-(hydroxymethyl)oxolan-2-one?
4-hydroxy-4-(hydroxymethyl)oxolan-2-one has a molecular weight of 132.12 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 18783249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).