dilithium;(Z)-octadec-9-enoate;benzoate

C25H38Li2O4 — CID 69380584

IUPACdilithium;(Z)-octadec-9-enoate;benzoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].O=C([O-])c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C18H34O2.C7H6O2.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-7(9)6-4-2-1-3-5-6;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-5H,(H,8,9);;/q;;2*+1/p-2/b10-9-;;;
InChIKeyRHPGCJNVDXYGND-BZKIHGKGSA-L
MW416.46 g/mol
LogP-1.17
Rot. Bonds16

About dilithium;(Z)-octadec-9-enoate;benzoate

dilithium;(Z)-octadec-9-enoate;benzoate (PubChem CID 69380584) has the molecular formula C25H38Li2O4 and a molecular weight of 416.46 g/mol. Its IUPAC name is dilithium;(Z)-octadec-9-enoate;benzoate.

Molecular Properties

Compound Namedilithium;(Z)-octadec-9-enoate;benzoate
PubChem CID69380584
Molecular FormulaC25H38Li2O4
Molecular Weight416.46 g/mol
Exact Mass416.31
IUPAC Namedilithium;(Z)-octadec-9-enoate;benzoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].O=C([O-])c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C18H34O2.C7H6O2.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-7(9)6-4-2-1-3-5-6;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-5H,(H,8,9);;/q;;2*+1/p-2/b10-9-;;;
InChIKeyRHPGCJNVDXYGND-BZKIHGKGSA-L
XLogP-1.17
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dialuminum;tris(octadecanoate);tribenzoate
CID 18366499
lithium (Z)-octadec-9-enoate
CID 23673654
diphenyltin(2+);bis(octadec-9-enoate)
CID 159227048
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
(E)-triacont-15-enoate
CID 59800253
(10Z,13Z,16Z)-docosa-10,13,16-trienoate
CID 86289994
(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate
CID 140590497
(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate
CID 86289180
cobalt(2+);(Z)-octadec-9-enoate
CID 20839514
iron(3+);(Z)-octadec-9-enoate
CID 22297787
tris(octadec-9-enoate);thulium(3+)
CID 173065522

Frequently Asked Questions

What is the IUPAC name of dilithium;(Z)-octadec-9-enoate;benzoate?
The IUPAC name of dilithium;(Z)-octadec-9-enoate;benzoate (CID 69380584) is dilithium;(Z)-octadec-9-enoate;benzoate.
What is the SMILES notation for dilithium;(Z)-octadec-9-enoate;benzoate?
The canonical SMILES for dilithium;(Z)-octadec-9-enoate;benzoate is CCCCCCCC/C=C\CCCCCCCC(=O)[O-].O=C([O-])c1ccccc1.[Li+].[Li+].
What is the InChIKey of dilithium;(Z)-octadec-9-enoate;benzoate?
The InChIKey is RHPGCJNVDXYGND-BZKIHGKGSA-L. The full InChI is InChI=1S/C18H34O2.C7H6O2.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-7(9)6-4-2-1-3-5-6;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-5H,(H,8,9);;/q;;2*+1/p-2/b10-9-;;;.
What are the key properties of dilithium;(Z)-octadec-9-enoate;benzoate?
dilithium;(Z)-octadec-9-enoate;benzoate has a molecular weight of 416.46 g/mol, XLogP of -1.17, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(Z)-octadec-9-enoate;benzoate is sourced from PubChem (CID 69380584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).