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

C7H6O6 — CID 59083879

IUPAC4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
SMILESO=C1OCC(=CC2COC(=O)O2)O1
InChIInChI=1S/C7H6O6/c8-6-10-2-4(12-6)1-5-3-11-7(9)13-5/h1,4H,2-3H2
InChIKeyVVBISTDZVTUOQH-UHFFFAOYSA-N
MW186.12 g/mol
LogP0.57
Rot. Bonds1

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

4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one (PubChem CID 59083879) has the molecular formula C7H6O6 and a molecular weight of 186.12 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
PubChem CID59083879
Molecular FormulaC7H6O6
Molecular Weight186.12 g/mol
Exact Mass186.02
IUPAC Name4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
SMILESO=C1OCC(=CC2COC(=O)O2)O1
InChIInChI=1S/C7H6O6/c8-6-10-2-4(12-6)1-5-3-11-7(9)13-5/h1,4H,2-3H2
InChIKeyVVBISTDZVTUOQH-UHFFFAOYSA-N
XLogP0.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Fluoropropylidene)-1,3-dioxolan-2-one
CID 173583478
4-Ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
CID 91192097
(5Z)-4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083880
4-[(2-Oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methoxymethyl]-5-prop-2-enyl-1,3-dioxol-2-one
CID 69712949
4-Methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 72511448
4-[2-[1-(2-Oxo-1,3-dioxolan-4-yl)prop-1-en-2-yloxy]prop-1-enyl]-1,3-dioxolan-2-one
CID 89859032
(4E)-4-but-3-enylidene-1,3-dioxolan-2-one
CID 100927908
4-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-1,3-dioxolan-2-one
CID 140311188
(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 159238373
ethene;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 159799122
ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 162119918

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one (CID 59083879) is 4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one is O=C1OCC(=CC2COC(=O)O2)O1.
What is the InChIKey of 4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
The InChIKey is VVBISTDZVTUOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O6/c8-6-10-2-4(12-6)1-5-3-11-7(9)13-5/h1,4H,2-3H2.
What are the key properties of 4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one has a molecular weight of 186.12 g/mol, XLogP of 0.57, 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)methylidene]-1,3-dioxolan-2-one is sourced from PubChem (CID 59083879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).