4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one

C6H6O6 — CID 3661569

IUPAC4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C2COC(=O)O2)O1
InChIInChI=1S/C6H6O6/c7-5-9-1-3(11-5)4-2-10-6(8)12-4/h3-4H,1-2H2
InChIKeyZWGIZHOZSXFSNW-UHFFFAOYSA-N
MW174.11 g/mol
LogP0.06
Rot. Bonds1

About 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one

4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one (PubChem CID 3661569) has the molecular formula C6H6O6 and a molecular weight of 174.11 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
PubChem CID3661569
Molecular FormulaC6H6O6
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C2COC(=O)O2)O1
InChIInChI=1S/C6H6O6/c7-5-9-1-3(11-5)4-2-10-6(8)12-4/h3-4H,1-2H2
InChIKeyZWGIZHOZSXFSNW-UHFFFAOYSA-N
XLogP0.06
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one (CID 3661569) is 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one is O=C1OCC(C2COC(=O)O2)O1.
What is the InChIKey of 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one?
The InChIKey is ZWGIZHOZSXFSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O6/c7-5-9-1-3(11-5)4-2-10-6(8)12-4/h3-4H,1-2H2.
What are the key properties of 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one?
4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one has a molecular weight of 174.11 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one is sourced from PubChem (CID 3661569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).