potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate

C5H6ClKO3 — CID 86695681

IUPACpotassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate
SMILESCCO/C([O-])=C(\Cl)C=O.[K+]
InChIInChI=1S/C5H7ClO3.K/c1-2-9-5(8)4(6)3-7;/h3,8H,2H2,1H3;/q;+1/p-1/b5-4-;
InChIKeyMUJCPJMSHYSPKT-MKWAYWHRSA-M
MW188.65 g/mol
LogP-3.01
Rot. Bonds3

About potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate

potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate (PubChem CID 86695681) has the molecular formula C5H6ClKO3 and a molecular weight of 188.65 g/mol. Its IUPAC name is potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate.

Molecular Properties

Compound Namepotassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate
PubChem CID86695681
Molecular FormulaC5H6ClKO3
Molecular Weight188.65 g/mol
Exact Mass187.96
IUPAC Namepotassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate
SMILESCCO/C([O-])=C(\Cl)C=O.[K+]
InChIInChI=1S/C5H7ClO3.K/c1-2-9-5(8)4(6)3-7;/h3,8H,2H2,1H3;/q;+1/p-1/b5-4-;
InChIKeyMUJCPJMSHYSPKT-MKWAYWHRSA-M
XLogP-3.01
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 5-3.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

potassium 2-ethoxy-2-oxoacetate
CID 23678856
(Z)-2,3-dichlorobut-2-enedial
CID 19698754
potassium 3-ethoxy-2-methyl-3-oxopropanoate
CID 23679020
azanium 2-ethoxy-2-oxoacetate
CID 141289359
trans-ethyl (1S,2R)-2-formylcyclopropane-1-carboxylate
CID 7006445
potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate
CID 23661877
1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
CID 10877249
1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
CID 10866467
ethanol;ethyl 2-oxoacetate
CID 160797373
ethyl 2-oxoacetate;palladium;hydrate
CID 174594654
ethyl N-(2-chloro-3-oxoprop-1-enyl)carbamate
CID 154074178
(E)-3-chloro-4-ethoxy-4-oxobut-2-enoic acid
CID 119098846

Frequently Asked Questions

What is the IUPAC name of potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate?
The IUPAC name of potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate (CID 86695681) is potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate.
What is the SMILES notation for potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate?
The canonical SMILES for potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate is CCO/C([O-])=C(\Cl)C=O.[K+].
What is the InChIKey of potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate?
The InChIKey is MUJCPJMSHYSPKT-MKWAYWHRSA-M. The full InChI is InChI=1S/C5H7ClO3.K/c1-2-9-5(8)4(6)3-7;/h3,8H,2H2,1H3;/q;+1/p-1/b5-4-;.
What are the key properties of potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate?
potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate has a molecular weight of 188.65 g/mol, XLogP of -3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (Z)-2-chloro-1-ethoxy-3-oxoprop-1-en-1-olate is sourced from PubChem (CID 86695681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).