trizinc;bis(octadecanoate);dicarbonate

C38H70O10Zn3 — CID 173241774

IUPACtrizinc;bis(octadecanoate);dicarbonate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].O=C([O-])[O-].O=C([O-])[O-].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/2C18H36O2.2CH2O3.3Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*2-1(3)4;;;/h2*2-17H2,1H3,(H,19,20);2*(H2,2,3,4);;;/q;;;;3*+2/p-6
InChIKeyZECBKGWXPZGLPC-UHFFFAOYSA-H
MW883.14 g/mol
LogP5.09
Rot. Bonds32

About trizinc;bis(octadecanoate);dicarbonate

trizinc;bis(octadecanoate);dicarbonate (PubChem CID 173241774) has the molecular formula C38H70O10Zn3 and a molecular weight of 883.14 g/mol. Its IUPAC name is trizinc;bis(octadecanoate);dicarbonate.

Molecular Properties

Compound Nametrizinc;bis(octadecanoate);dicarbonate
PubChem CID173241774
Molecular FormulaC38H70O10Zn3
Molecular Weight883.14 g/mol
Exact Mass878.28
IUPAC Nametrizinc;bis(octadecanoate);dicarbonate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].O=C([O-])[O-].O=C([O-])[O-].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/2C18H36O2.2CH2O3.3Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*2-1(3)4;;;/h2*2-17H2,1H3,(H,19,20);2*(H2,2,3,4);;;/q;;;;3*+2/p-6
InChIKeyZECBKGWXPZGLPC-UHFFFAOYSA-H
XLogP5.09
TPSA206.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.14
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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zinc;cobalt(2+);bis(octadecanoate)
CID 159850249
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum;azanium;zinc;octadecanoate;tetradecanoate
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CID 173338441
decanoate;lanthanum(3+)
CID 21139452
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
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Frequently Asked Questions

What is the IUPAC name of trizinc;bis(octadecanoate);dicarbonate?
The IUPAC name of trizinc;bis(octadecanoate);dicarbonate (CID 173241774) is trizinc;bis(octadecanoate);dicarbonate.
What is the SMILES notation for trizinc;bis(octadecanoate);dicarbonate?
The canonical SMILES for trizinc;bis(octadecanoate);dicarbonate is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].O=C([O-])[O-].O=C([O-])[O-].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;bis(octadecanoate);dicarbonate?
The InChIKey is ZECBKGWXPZGLPC-UHFFFAOYSA-H. The full InChI is InChI=1S/2C18H36O2.2CH2O3.3Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*2-1(3)4;;;/h2*2-17H2,1H3,(H,19,20);2*(H2,2,3,4);;;/q;;;;3*+2/p-6.
What are the key properties of trizinc;bis(octadecanoate);dicarbonate?
trizinc;bis(octadecanoate);dicarbonate has a molecular weight of 883.14 g/mol, XLogP of 5.09, 32 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;bis(octadecanoate);dicarbonate is sourced from PubChem (CID 173241774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).