ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate

C8H9ClO4 — CID 10013175

IUPACethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate
SMILESCCOC(=O)/C(Cl)=C1\CCC(=O)O1
InChIInChI=1S/C8H9ClO4/c1-2-12-8(11)7(9)5-3-4-6(10)13-5/h2-4H2,1H3/b7-5-
InChIKeyISTRFQXFGDBLSB-ALCCZGGFSA-N
MW204.61 g/mol
LogP1.34
Rot. Bonds2

About ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate

ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate (PubChem CID 10013175) has the molecular formula C8H9ClO4 and a molecular weight of 204.61 g/mol. Its IUPAC name is ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate
PubChem CID10013175
Molecular FormulaC8H9ClO4
Molecular Weight204.61 g/mol
Exact Mass204.02
IUPAC Nameethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate
SMILESCCOC(=O)/C(Cl)=C1\CCC(=O)O1
InChIInChI=1S/C8H9ClO4/c1-2-12-8(11)7(9)5-3-4-6(10)13-5/h2-4H2,1H3/b7-5-
InChIKeyISTRFQXFGDBLSB-ALCCZGGFSA-N
XLogP1.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-chloro-2-oxoacetate;hydrate
CID 174430956
ethyl 3-chloro-2,3-dioxopropanoate
CID 15149748
CID 159370772
CID 159370772
sodium;ethyl carbonochloridate;hydroxide
CID 159645066
ethyl carbonochloridate;oxirane
CID 174958217
sodium (Z)-2-chloro-3-ethoxy-3-oxoprop-1-en-1-olate
CID 23697601
ethyl (2E)-2-(oxolan-2-ylidene)butanoate
CID 11344407
diethyl 6-oxooxane-3,3-dicarboxylate
CID 172560862
diethyl 2-amino-3-chlorobut-2-enedioate
CID 71341053
ethyl (2E)-2-hydroxy-2-(2-oxocyclohexylidene)acetate
CID 71775973
ethyl 3-cyclohexylidene-2-fluoroprop-2-enoate
CID 132559189
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate (CID 10013175) is ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate is CCOC(=O)/C(Cl)=C1\CCC(=O)O1.
What is the InChIKey of ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate?
The InChIKey is ISTRFQXFGDBLSB-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H9ClO4/c1-2-12-8(11)7(9)5-3-4-6(10)13-5/h2-4H2,1H3/b7-5-.
What are the key properties of ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate?
ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate has a molecular weight of 204.61 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-chloro-2-(5-oxooxolan-2-ylidene)acetate is sourced from PubChem (CID 10013175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).