acetyl 2-oxoundecanoate;zinc

C13H22O4Zn — CID 175267632

IUPACacetyl 2-oxoundecanoate;zinc
SMILESCCCCCCCCCC(=O)C(=O)OC(C)=O.[Zn]
InChIInChI=1S/C13H22O4.Zn/c1-3-4-5-6-7-8-9-10-12(15)13(16)17-11(2)14;/h3-10H2,1-2H3;
InChIKeyZRLNLOATRDVKHJ-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.78
Rot. Bonds9

About acetyl 2-oxoundecanoate;zinc

acetyl 2-oxoundecanoate;zinc (PubChem CID 175267632) has the molecular formula C13H22O4Zn and a molecular weight of 307.70 g/mol. Its IUPAC name is acetyl 2-oxoundecanoate;zinc.

Molecular Properties

Compound Nameacetyl 2-oxoundecanoate;zinc
PubChem CID175267632
Molecular FormulaC13H22O4Zn
Molecular Weight307.70 g/mol
Exact Mass306.08
IUPAC Nameacetyl 2-oxoundecanoate;zinc
SMILESCCCCCCCCCC(=O)C(=O)OC(C)=O.[Zn]
InChIInChI=1S/C13H22O4.Zn/c1-3-4-5-6-7-8-9-10-12(15)13(16)17-11(2)14;/h3-10H2,1-2H3;
InChIKeyZRLNLOATRDVKHJ-UHFFFAOYSA-N
XLogP2.78
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;acetyl octanoate;cobalt;hydride
CID 174292734
acetyl dodecanoate;azane
CID 174531393
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
methyl 2,3-dioxotetracosanoate
CID 174604559
dipotassium;acetyl octadecanoate;hydride
CID 174377662
hexadecyl 2-oxooctanoate
CID 145051782
ethyl 2-oxoheptanoate
CID 11745091
butanoyl 2-oxodecaneperoxoate
CID 140747300
prop-2-enyl 2-oxooctadecanoate
CID 140945960
1-iodotridec-1-en-2-yl acetate
CID 173001585
ethenyl 2-oxohexadecanoate
CID 57088883

Frequently Asked Questions

What is the IUPAC name of acetyl 2-oxoundecanoate;zinc?
The IUPAC name of acetyl 2-oxoundecanoate;zinc (CID 175267632) is acetyl 2-oxoundecanoate;zinc.
What is the SMILES notation for acetyl 2-oxoundecanoate;zinc?
The canonical SMILES for acetyl 2-oxoundecanoate;zinc is CCCCCCCCCC(=O)C(=O)OC(C)=O.[Zn].
What is the InChIKey of acetyl 2-oxoundecanoate;zinc?
The InChIKey is ZRLNLOATRDVKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4.Zn/c1-3-4-5-6-7-8-9-10-12(15)13(16)17-11(2)14;/h3-10H2,1-2H3;.
What are the key properties of acetyl 2-oxoundecanoate;zinc?
acetyl 2-oxoundecanoate;zinc has a molecular weight of 307.70 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-oxoundecanoate;zinc is sourced from PubChem (CID 175267632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).