(4Z)-4-ethylidenedioxetan-3-one

C4H4O3 — CID 142713844

IUPAC(4Z)-4-ethylidenedioxetan-3-one
SMILESC/C=C1\OOC1=O
InChIInChI=1S/C4H4O3/c1-2-3-4(5)7-6-3/h2H,1H3/b3-2-
InChIKeyCYWACDRFGUPZNF-IHWYPQMZSA-N
MW100.07 g/mol
LogP0.38
Rot. Bonds

About (4Z)-4-ethylidenedioxetan-3-one

(4Z)-4-ethylidenedioxetan-3-one (PubChem CID 142713844) has the molecular formula C4H4O3 and a molecular weight of 100.07 g/mol. Its IUPAC name is (4Z)-4-ethylidenedioxetan-3-one.

Molecular Properties

Compound Name(4Z)-4-ethylidenedioxetan-3-one
PubChem CID142713844
Molecular FormulaC4H4O3
Molecular Weight100.07 g/mol
Exact Mass100.02
IUPAC Name(4Z)-4-ethylidenedioxetan-3-one
SMILESC/C=C1\OOC1=O
InChIInChI=1S/C4H4O3/c1-2-3-4(5)7-6-3/h2H,1H3/b3-2-
InChIKeyCYWACDRFGUPZNF-IHWYPQMZSA-N
XLogP0.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.07
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 166478823
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CID 173086545
(3Z,6Z)-3,6-di(ethylidene)-5-hydroxy-1,4-dioxan-2-one
CID 146553663
(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione
CID 144910651
7-ethylidenefuro[3,4-e][1,2,4]triazin-5-one
CID 77389948
(3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one
CID 173370903
(4Z)-4-ethylidene-1,3-oxazolidine-2,5-dione
CID 10898725
(3E,4E)-3,4-di(ethylidene)-1H-2-benzoxepin-5-one
CID 130316300
3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one
CID 162538872
2-ethylidene-4-methyl-1,3-oxazol-5-one
CID 130653508
(3Z)-3-ethylidene-7-nitro-2-benzofuran-1-one
CID 145477090
4-ethylidene-1,3-dioxan-2-one
CID 123345115

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidenedioxetan-3-one?
The IUPAC name of (4Z)-4-ethylidenedioxetan-3-one (CID 142713844) is (4Z)-4-ethylidenedioxetan-3-one.
What is the SMILES notation for (4Z)-4-ethylidenedioxetan-3-one?
The canonical SMILES for (4Z)-4-ethylidenedioxetan-3-one is C/C=C1\OOC1=O.
What is the InChIKey of (4Z)-4-ethylidenedioxetan-3-one?
The InChIKey is CYWACDRFGUPZNF-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H4O3/c1-2-3-4(5)7-6-3/h2H,1H3/b3-2-.
What are the key properties of (4Z)-4-ethylidenedioxetan-3-one?
(4Z)-4-ethylidenedioxetan-3-one has a molecular weight of 100.07 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidenedioxetan-3-one is sourced from PubChem (CID 142713844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).