4-(5-oxooxolan-3-yl)oxolan-2-one

C8H10O4 — CID 89449763

IUPAC4-(5-oxooxolan-3-yl)oxolan-2-one
SMILESO=C1CC(C2COC(=O)C2)CO1
InChIInChI=1S/C8H10O4/c9-7-1-5(3-11-7)6-2-8(10)12-4-6/h5-6H,1-4H2
InChIKeyVHTLWKIHZXRRLC-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.11
Rot. Bonds1

About 4-(5-oxooxolan-3-yl)oxolan-2-one

4-(5-oxooxolan-3-yl)oxolan-2-one (PubChem CID 89449763) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-(5-oxooxolan-3-yl)oxolan-2-one.

Molecular Properties

Compound Name4-(5-oxooxolan-3-yl)oxolan-2-one
PubChem CID89449763
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name4-(5-oxooxolan-3-yl)oxolan-2-one
SMILESO=C1CC(C2COC(=O)C2)CO1
InChIInChI=1S/C8H10O4/c9-7-1-5(3-11-7)6-2-8(10)12-4-6/h5-6H,1-4H2
InChIKeyVHTLWKIHZXRRLC-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-oxooxolan-3-yl)oxolan-2-one?
The IUPAC name of 4-(5-oxooxolan-3-yl)oxolan-2-one (CID 89449763) is 4-(5-oxooxolan-3-yl)oxolan-2-one.
What is the SMILES notation for 4-(5-oxooxolan-3-yl)oxolan-2-one?
The canonical SMILES for 4-(5-oxooxolan-3-yl)oxolan-2-one is O=C1CC(C2COC(=O)C2)CO1.
What is the InChIKey of 4-(5-oxooxolan-3-yl)oxolan-2-one?
The InChIKey is VHTLWKIHZXRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-7-1-5(3-11-7)6-2-8(10)12-4-6/h5-6H,1-4H2.
What are the key properties of 4-(5-oxooxolan-3-yl)oxolan-2-one?
4-(5-oxooxolan-3-yl)oxolan-2-one has a molecular weight of 170.16 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxooxolan-3-yl)oxolan-2-one is sourced from PubChem (CID 89449763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).