dizinc bis(octadecanoate)

C36H70O4Zn2+2 — CID 21187064

IUPACdizinc bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C18H36O2.2Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+2/p-2
InChIKeyWTWQCBAKIQCQKH-UHFFFAOYSA-L
MW697.73 g/mol
LogP9.99
Rot. Bonds32

About dizinc bis(octadecanoate)

dizinc bis(octadecanoate) (PubChem CID 21187064) has the molecular formula C36H70O4Zn2+2 and a molecular weight of 697.73 g/mol. Its IUPAC name is dizinc bis(octadecanoate).

Molecular Properties

Compound Namedizinc bis(octadecanoate)
PubChem CID21187064
Molecular FormulaC36H70O4Zn2+2
Molecular Weight697.73 g/mol
Exact Mass694.38
IUPAC Namedizinc bis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C18H36O2.2Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+2/p-2
InChIKeyWTWQCBAKIQCQKH-UHFFFAOYSA-L
XLogP9.99
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.73
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

zinc;cobalt(2+);bis(octadecanoate)
CID 159850249
trizinc;bis(octadecanoate);dicarbonate
CID 173241774
aluminum;zinc;pentakis(octadecanoate)
CID 157349852
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum;azanium;zinc;octadecanoate;tetradecanoate
CID 19601869
calcium;zinc;barium(2+);hexakis(octadecanoate)
CID 173338441
decanoate;lanthanum(3+)
CID 21139452
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
manganese(2+);bis(tricosanoate)
CID 100951425

Frequently Asked Questions

What is the IUPAC name of dizinc bis(octadecanoate)?
The IUPAC name of dizinc bis(octadecanoate) (CID 21187064) is dizinc bis(octadecanoate).
What is the SMILES notation for dizinc bis(octadecanoate)?
The canonical SMILES for dizinc bis(octadecanoate) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc bis(octadecanoate)?
The InChIKey is WTWQCBAKIQCQKH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O2.2Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;/q;;2*+2/p-2.
What are the key properties of dizinc bis(octadecanoate)?
dizinc bis(octadecanoate) has a molecular weight of 697.73 g/mol, XLogP of 9.99, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc bis(octadecanoate) is sourced from PubChem (CID 21187064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).