5-(hydroxymethyl)oxolan-2-one

C10H16O6 — CID 158931038

IUPAC5-(hydroxymethyl)oxolan-2-one
SMILESO=C1CCC(CO)O1.O=C1CCC(CO)O1
InChIInChI=1S/2C5H8O3/c2*6-3-4-1-2-5(7)8-4/h2*4,6H,1-3H2
InChIKeyJJBDBPCHBBWVKF-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.63
Rot. Bonds2

About 5-(hydroxymethyl)oxolan-2-one

5-(hydroxymethyl)oxolan-2-one (PubChem CID 158931038) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)oxolan-2-one
PubChem CID158931038
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name5-(hydroxymethyl)oxolan-2-one
SMILESO=C1CCC(CO)O1.O=C1CCC(CO)O1
InChIInChI=1S/2C5H8O3/c2*6-3-4-1-2-5(7)8-4/h2*4,6H,1-3H2
InChIKeyJJBDBPCHBBWVKF-UHFFFAOYSA-N
XLogP-0.63
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of 5-(hydroxymethyl)oxolan-2-one (CID 158931038) is 5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for 5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for 5-(hydroxymethyl)oxolan-2-one is O=C1CCC(CO)O1.O=C1CCC(CO)O1.
What is the InChIKey of 5-(hydroxymethyl)oxolan-2-one?
The InChIKey is JJBDBPCHBBWVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O3/c2*6-3-4-1-2-5(7)8-4/h2*4,6H,1-3H2.
What are the key properties of 5-(hydroxymethyl)oxolan-2-one?
5-(hydroxymethyl)oxolan-2-one has a molecular weight of 232.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 158931038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).