5-(5-hydroxyoxolan-2-yl)oxolan-2-one

C8H12O4 — CID 126704594

IUPAC5-(5-hydroxyoxolan-2-yl)oxolan-2-one
SMILESO=C1CCC(C2CCC(O)O2)O1
InChIInChI=1S/C8H12O4/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h5-7,9H,1-4H2
InChIKeyLTQAKQQXLTYINW-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.19
Rot. Bonds1

About 5-(5-hydroxyoxolan-2-yl)oxolan-2-one

5-(5-hydroxyoxolan-2-yl)oxolan-2-one (PubChem CID 126704594) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-(5-hydroxyoxolan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name5-(5-hydroxyoxolan-2-yl)oxolan-2-one
PubChem CID126704594
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name5-(5-hydroxyoxolan-2-yl)oxolan-2-one
SMILESO=C1CCC(C2CCC(O)O2)O1
InChIInChI=1S/C8H12O4/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h5-7,9H,1-4H2
InChIKeyLTQAKQQXLTYINW-UHFFFAOYSA-N
XLogP0.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxyoxolan-2-yl)oxolan-2-one?
The IUPAC name of 5-(5-hydroxyoxolan-2-yl)oxolan-2-one (CID 126704594) is 5-(5-hydroxyoxolan-2-yl)oxolan-2-one.
What is the SMILES notation for 5-(5-hydroxyoxolan-2-yl)oxolan-2-one?
The canonical SMILES for 5-(5-hydroxyoxolan-2-yl)oxolan-2-one is O=C1CCC(C2CCC(O)O2)O1.
What is the InChIKey of 5-(5-hydroxyoxolan-2-yl)oxolan-2-one?
The InChIKey is LTQAKQQXLTYINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h5-7,9H,1-4H2.
What are the key properties of 5-(5-hydroxyoxolan-2-yl)oxolan-2-one?
5-(5-hydroxyoxolan-2-yl)oxolan-2-one has a molecular weight of 172.18 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxyoxolan-2-yl)oxolan-2-one is sourced from PubChem (CID 126704594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).