acetyl propanoate;cobalt

C5H8Co2O3 — CID 88660334

IUPACacetyl propanoate;cobalt
SMILESCCC(=O)OC(C)=O.[Co].[Co]
InChIInChI=1S/C5H8O3.2Co/c1-3-5(7)8-4(2)6;;/h3H2,1-2H3;;
InChIKeyNPJKPDMKYBJMQT-UHFFFAOYSA-N
MW233.98 g/mol
LogP0.48
Rot. Bonds1

About acetyl propanoate;cobalt

acetyl propanoate;cobalt (PubChem CID 88660334) has the molecular formula C5H8Co2O3 and a molecular weight of 233.98 g/mol. Its IUPAC name is acetyl propanoate;cobalt.

Molecular Properties

Compound Nameacetyl propanoate;cobalt
PubChem CID88660334
Molecular FormulaC5H8Co2O3
Molecular Weight233.98 g/mol
Exact Mass233.91
IUPAC Nameacetyl propanoate;cobalt
SMILESCCC(=O)OC(C)=O.[Co].[Co]
InChIInChI=1S/C5H8O3.2Co/c1-3-5(7)8-4(2)6;;/h3H2,1-2H3;;
InChIKeyNPJKPDMKYBJMQT-UHFFFAOYSA-N
XLogP0.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.98
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetyl propanoate;copper
CID 174868474
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
dipropanoyl butanedioate
CID 146216618
sodium;acetyl octanoate;cobalt;hydride
CID 174292734

Frequently Asked Questions

What is the IUPAC name of acetyl propanoate;cobalt?
The IUPAC name of acetyl propanoate;cobalt (CID 88660334) is acetyl propanoate;cobalt.
What is the SMILES notation for acetyl propanoate;cobalt?
The canonical SMILES for acetyl propanoate;cobalt is CCC(=O)OC(C)=O.[Co].[Co].
What is the InChIKey of acetyl propanoate;cobalt?
The InChIKey is NPJKPDMKYBJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.2Co/c1-3-5(7)8-4(2)6;;/h3H2,1-2H3;;.
What are the key properties of acetyl propanoate;cobalt?
acetyl propanoate;cobalt has a molecular weight of 233.98 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;cobalt is sourced from PubChem (CID 88660334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).