acetyl propanoate;copper

C5H8CuO3 — CID 174868474

IUPACacetyl propanoate;copper
SMILESCCC(=O)OC(C)=O.[Cu]
InChIInChI=1S/C5H8O3.Cu/c1-3-5(7)8-4(2)6;/h3H2,1-2H3;
InChIKeyHQCJLZSPUDLAOB-UHFFFAOYSA-N
MW179.66 g/mol
LogP0.48
Rot. Bonds1

About acetyl propanoate;copper

acetyl propanoate;copper (PubChem CID 174868474) has the molecular formula C5H8CuO3 and a molecular weight of 179.66 g/mol. Its IUPAC name is acetyl propanoate;copper.

Molecular Properties

Compound Nameacetyl propanoate;copper
PubChem CID174868474
Molecular FormulaC5H8CuO3
Molecular Weight179.66 g/mol
Exact Mass178.98
IUPAC Nameacetyl propanoate;copper
SMILESCCC(=O)OC(C)=O.[Cu]
InChIInChI=1S/C5H8O3.Cu/c1-3-5(7)8-4(2)6;/h3H2,1-2H3;
InChIKeyHQCJLZSPUDLAOB-UHFFFAOYSA-N
XLogP0.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.66
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze acetyl propanoate;copper with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetyl propanoate;cobalt
CID 88660334
propanoyl (113C)propanoate
CID 91179573
(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
CID 174477288
1-O-acetyl 3-O-(3-acetyloxy-3-oxopropanoyl) propanedioate
CID 87700479
acetyl propanoate;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174579142
CID 173079195
CID 173079195
sodium;diacetyl butanedioate;hydride
CID 173377512
acetyl 2-aminoacetate
CID 13153876
acetyl 2-ethoxyacetate
CID 57009984
acetyl acetate;1,2-dichloroethane
CID 161071038
dipropanoyl butanedioate
CID 146216618

Frequently Asked Questions

What is the IUPAC name of acetyl propanoate;copper?
The IUPAC name of acetyl propanoate;copper (CID 174868474) is acetyl propanoate;copper.
What is the SMILES notation for acetyl propanoate;copper?
The canonical SMILES for acetyl propanoate;copper is CCC(=O)OC(C)=O.[Cu].
What is the InChIKey of acetyl propanoate;copper?
The InChIKey is HQCJLZSPUDLAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.Cu/c1-3-5(7)8-4(2)6;/h3H2,1-2H3;.
What are the key properties of acetyl propanoate;copper?
acetyl propanoate;copper has a molecular weight of 179.66 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl propanoate;copper is sourced from PubChem (CID 174868474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).