zinc;(Z)-octadec-9-enoic acid;dibromide

C18H34Br2O2Zn — CID 175148691

IUPACzinc;(Z)-octadec-9-enoic acid;dibromide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.[Br-].[Br-].[Zn+2]
InChIInChI=1S/C18H34O2.2BrH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);2*1H;/q;;;+2/p-2/b10-9-;;;
InChIKeyWAYFMWFEBJKSQE-BZKIHGKGSA-L
MW507.67 g/mol
LogP0.11
Rot. Bonds15

About zinc;(Z)-octadec-9-enoic acid;dibromide

zinc;(Z)-octadec-9-enoic acid;dibromide (PubChem CID 175148691) has the molecular formula C18H34Br2O2Zn and a molecular weight of 507.67 g/mol. Its IUPAC name is zinc;(Z)-octadec-9-enoic acid;dibromide.

Molecular Properties

Compound Namezinc;(Z)-octadec-9-enoic acid;dibromide
PubChem CID175148691
Molecular FormulaC18H34Br2O2Zn
Molecular Weight507.67 g/mol
Exact Mass504.02
IUPAC Namezinc;(Z)-octadec-9-enoic acid;dibromide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.[Br-].[Br-].[Zn+2]
InChIInChI=1S/C18H34O2.2BrH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);2*1H;/q;;;+2/p-2/b10-9-;;;
InChIKeyWAYFMWFEBJKSQE-BZKIHGKGSA-L
XLogP0.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.67
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of zinc;(Z)-octadec-9-enoic acid;dibromide?
The IUPAC name of zinc;(Z)-octadec-9-enoic acid;dibromide (CID 175148691) is zinc;(Z)-octadec-9-enoic acid;dibromide.
What is the SMILES notation for zinc;(Z)-octadec-9-enoic acid;dibromide?
The canonical SMILES for zinc;(Z)-octadec-9-enoic acid;dibromide is CCCCCCCC/C=C\CCCCCCCC(=O)O.[Br-].[Br-].[Zn+2].
What is the InChIKey of zinc;(Z)-octadec-9-enoic acid;dibromide?
The InChIKey is WAYFMWFEBJKSQE-BZKIHGKGSA-L. The full InChI is InChI=1S/C18H34O2.2BrH.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);2*1H;/q;;;+2/p-2/b10-9-;;;.
What are the key properties of zinc;(Z)-octadec-9-enoic acid;dibromide?
zinc;(Z)-octadec-9-enoic acid;dibromide has a molecular weight of 507.67 g/mol, XLogP of 0.11, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;(Z)-octadec-9-enoic acid;dibromide is sourced from PubChem (CID 175148691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).