potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate

C6H9KO3 — CID 23661877

IUPACpotassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate
SMILESCCO/C([O-])=C\C(C)=O.[K+]
InChIInChI=1S/C6H10O3.K/c1-3-9-6(8)4-5(2)7;/h4,8H,3H2,1-2H3;/q;+1/p-1/b6-4-;
InChIKeyVXDSHKRFBNIEJH-YHSAGPEESA-M
MW168.23 g/mol
LogP-3.18
Rot. Bonds3

About potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate

potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate (PubChem CID 23661877) has the molecular formula C6H9KO3 and a molecular weight of 168.23 g/mol. Its IUPAC name is potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate.

Molecular Properties

Compound Namepotassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate
PubChem CID23661877
Molecular FormulaC6H9KO3
Molecular Weight168.23 g/mol
Exact Mass168.02
IUPAC Namepotassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate
SMILESCCO/C([O-])=C\C(C)=O.[K+]
InChIInChI=1S/C6H10O3.K/c1-3-9-6(8)4-5(2)7;/h4,8H,3H2,1-2H3;/q;+1/p-1/b6-4-;
InChIKeyVXDSHKRFBNIEJH-YHSAGPEESA-M
XLogP-3.18
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethoxy-3-oxoprop-1-en-1-olate;methane
CID 158133610
ethyl [(Z)-4-oxopent-2-en-2-yl] carbonate
CID 88770725
copper bis((E)-4-ethoxy-4-oxobut-2-en-2-olate)
CID 171703399
potassium 2-ethoxy-2-oxoacetate
CID 23678856
(E)-4-ethoxy-4-(methylamino)but-3-en-2-one
CID 45085695
zinc bis((E)-1-ethoxy-3-propan-2-yliminobut-1-en-1-olate)
CID 139152647
azanium 2-ethoxy-2-oxoacetate
CID 141289359
tetrakis((E)-1,3-diethoxy-3-oxoprop-1-en-1-olate);toluene;zirconium(4+)
CID 139148926
ethyl acetate;oxoplatinum
CID 158371854
(Z)-4-ethoxy-4-hydroxybut-3-en-2-one;(E)-4-ethoxy-4-hydroxybut-3-en-2-one;bis(propan-2-ol);titanium
CID 137156391
potassium (3Z)-5-ethoxy-5-oxopenta-1,3-dien-3-olate
CID 23698904
bis(4-ethoxy-4-hydroxybut-3-en-2-one);bis(propan-2-ol);titanium
CID 137316213

Frequently Asked Questions

What is the IUPAC name of potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate?
The IUPAC name of potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate (CID 23661877) is potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate.
What is the SMILES notation for potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate?
The canonical SMILES for potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate is CCO/C([O-])=C\C(C)=O.[K+].
What is the InChIKey of potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate?
The InChIKey is VXDSHKRFBNIEJH-YHSAGPEESA-M. The full InChI is InChI=1S/C6H10O3.K/c1-3-9-6(8)4-5(2)7;/h4,8H,3H2,1-2H3;/q;+1/p-1/b6-4-;.
What are the key properties of potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate?
potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate has a molecular weight of 168.23 g/mol, XLogP of -3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate is sourced from PubChem (CID 23661877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).