3-(hydroxymethyl)oxolan-2-one

C5H8O3 — CID 12664700

IUPAC3-(hydroxymethyl)oxolan-2-one
SMILESO=C1OCCC1CO
InChIInChI=1S/C5H8O3/c6-3-4-1-2-8-5(4)7/h4,6H,1-3H2
InChIKeySQGFUXSRIIEVCU-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.46
Rot. Bonds1

About 3-(hydroxymethyl)oxolan-2-one

3-(hydroxymethyl)oxolan-2-one (PubChem CID 12664700) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)oxolan-2-one
PubChem CID12664700
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name3-(hydroxymethyl)oxolan-2-one
SMILESO=C1OCCC1CO
InChIInChI=1S/C5H8O3/c6-3-4-1-2-8-5(4)7/h4,6H,1-3H2
InChIKeySQGFUXSRIIEVCU-UHFFFAOYSA-N
XLogP-0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)oxolan-2-one?
The IUPAC name of 3-(hydroxymethyl)oxolan-2-one (CID 12664700) is 3-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for 3-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for 3-(hydroxymethyl)oxolan-2-one is O=C1OCCC1CO.
What is the InChIKey of 3-(hydroxymethyl)oxolan-2-one?
The InChIKey is SQGFUXSRIIEVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c6-3-4-1-2-8-5(4)7/h4,6H,1-3H2.
What are the key properties of 3-(hydroxymethyl)oxolan-2-one?
3-(hydroxymethyl)oxolan-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 12664700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).