dizinc;octadecanoate;borate

C18H35BO5Zn2 — CID 161089175

IUPACdizinc;octadecanoate;borate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[O-]B([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/C18H36O2.BO3.2Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4;;/h2-17H2,1H3,(H,19,20);;;/q;-3;2*+2/p-1
InChIKeyUGYBJUUCEHZGSB-UHFFFAOYSA-M
MW473.07 g/mol
LogP1.04
Rot. Bonds16

About dizinc;octadecanoate;borate

dizinc;octadecanoate;borate (PubChem CID 161089175) has the molecular formula C18H35BO5Zn2 and a molecular weight of 473.07 g/mol. Its IUPAC name is dizinc;octadecanoate;borate.

Molecular Properties

Compound Namedizinc;octadecanoate;borate
PubChem CID161089175
Molecular FormulaC18H35BO5Zn2
Molecular Weight473.07 g/mol
Exact Mass470.12
IUPAC Namedizinc;octadecanoate;borate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[O-]B([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/C18H36O2.BO3.2Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4;;/h2-17H2,1H3,(H,19,20);;;/q;-3;2*+2/p-1
InChIKeyUGYBJUUCEHZGSB-UHFFFAOYSA-M
XLogP1.04
TPSA109.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.07
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

copper;hexadecanoate;borate
CID 175224143
dizinc bis(octadecanoate)
CID 21187064
CID 57357175
CID 57357175
CID 173418360
CID 173418360
trizinc;bis(octadecanoate);dicarbonate
CID 173241774
aluminum;zinc;pentakis(octadecanoate)
CID 157349852
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
CID 19601869
calcium;zinc;barium(2+);hexakis(octadecanoate)
CID 173338441

Frequently Asked Questions

What is the IUPAC name of dizinc;octadecanoate;borate?
The IUPAC name of dizinc;octadecanoate;borate (CID 161089175) is dizinc;octadecanoate;borate.
What is the SMILES notation for dizinc;octadecanoate;borate?
The canonical SMILES for dizinc;octadecanoate;borate is CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]B([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;octadecanoate;borate?
The InChIKey is UGYBJUUCEHZGSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2.BO3.2Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4;;/h2-17H2,1H3,(H,19,20);;;/q;-3;2*+2/p-1.
What are the key properties of dizinc;octadecanoate;borate?
dizinc;octadecanoate;borate has a molecular weight of 473.07 g/mol, XLogP of 1.04, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;octadecanoate;borate is sourced from PubChem (CID 161089175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).