ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one

C18H24O9 — CID 162119918

IUPACethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
SMILESC=C.C=C.C=C.C=CC1COC(=O)O1.O=C1OC/C(=C/C2COC(=O)O2)O1
InChIInChI=1S/C7H6O6.C5H6O3.3C2H4/c8-6-10-2-4(12-6)1-5-3-11-7(9)13-5;1-2-4-3-7-5(6)8-4;3*1-2/h1,4H,2-3H2;2,4H,1,3H2;3*1-2H2/b5-1-;;;;
InChIKeyZHGREKLNBRDQGG-SXLXNGLZSA-N
MW384.38 g/mol
LogP3.69
Rot. Bonds2

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

ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one (PubChem CID 162119918) has the molecular formula C18H24O9 and a molecular weight of 384.38 g/mol. Its IUPAC name is ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one.

Molecular Properties

Compound Nameethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
PubChem CID162119918
Molecular FormulaC18H24O9
Molecular Weight384.38 g/mol
Exact Mass384.14
IUPAC Nameethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
SMILESC=C.C=C.C=C.C=CC1COC(=O)O1.O=C1OC/C(=C/C2COC(=O)O2)O1
InChIInChI=1S/C7H6O6.C5H6O3.3C2H4/c8-6-10-2-4(12-6)1-5-3-11-7(9)13-5;1-2-4-3-7-5(6)8-4;3*1-2/h1,4H,2-3H2;2,4H,1,3H2;3*1-2H2/b5-1-;;;;
InChIKeyZHGREKLNBRDQGG-SXLXNGLZSA-N
XLogP3.69
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2-Oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083879
(5Z)-4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083880
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
4-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-1,3-dioxolan-2-one
CID 140311188
buta-1,2,3-triene;ethene;4-ethenyl-1,3-dioxolan-2-one;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 159238372
(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 159238373
ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol
CID 159416319
ethene;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 159799122
4-Methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one
CID 159860290

Frequently Asked Questions

What is the IUPAC name of ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
The IUPAC name of 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) is ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one.
What is the SMILES notation for ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
The canonical SMILES for ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one is C=C.C=C.C=C.C=CC1COC(=O)O1.O=C1OC/C(=C/C2COC(=O)O2)O1.
What is the InChIKey of ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
The InChIKey is ZHGREKLNBRDQGG-SXLXNGLZSA-N. The full InChI is InChI=1S/C7H6O6.C5H6O3.3C2H4/c8-6-10-2-4(12-6)1-5-3-11-7(9)13-5;1-2-4-3-7-5(6)8-4;3*1-2/h1,4H,2-3H2;2,4H,1,3H2;3*1-2H2/b5-1-;;;;.
What are the key properties of ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one?
ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one has a molecular weight of 384.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one is sourced from PubChem (CID 162119918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).