dilithium;hydride;(Z)-octadec-9-enoic acid

C18H36Li2O2 — CID 174491446

IUPACdilithium;hydride;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C18H34O2.2Li.2H/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);;;;/q;2*+1;2*-1/b10-9-;;;;
InChIKeyOMSQEISXBULYAK-HKIWRJGFSA-N
MW298.37 g/mol
LogP0.34
Rot. Bonds15

About dilithium;hydride;(Z)-octadec-9-enoic acid

dilithium;hydride;(Z)-octadec-9-enoic acid (PubChem CID 174491446) has the molecular formula C18H36Li2O2 and a molecular weight of 298.37 g/mol. Its IUPAC name is dilithium;hydride;(Z)-octadec-9-enoic acid.

Molecular Properties

Compound Namedilithium;hydride;(Z)-octadec-9-enoic acid
PubChem CID174491446
Molecular FormulaC18H36Li2O2
Molecular Weight298.37 g/mol
Exact Mass298.30
IUPAC Namedilithium;hydride;(Z)-octadec-9-enoic acid
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C18H34O2.2Li.2H/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);;;;/q;2*+1;2*-1/b10-9-;;;;
InChIKeyOMSQEISXBULYAK-HKIWRJGFSA-N
XLogP0.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

sodium;hydride;(Z)-octadec-9-enoic acid
CID 172995005
sodium;hexadec-9-enoic acid;hydride
CID 172998914
calcium;hexadec-9-enoic acid;hydride
CID 173150925
calcium;(Z)-hexadec-9-enoic acid;hydride
CID 174048732
lithium;hydride;tetradec-9-enoic acid
CID 173353076
magnesium;hydride;octadec-9-enoic acid
CID 172995606
potassium;hydride;(Z)-tetracos-15-enoic acid
CID 174974374
docos-13-enoic acid
CID 173024393
nonacos-6-enoic acid
CID 169277319
octadecanoic acid;bis((Z)-octadec-9-enoic acid)
CID 88752533
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832

Frequently Asked Questions

What is the IUPAC name of dilithium;hydride;(Z)-octadec-9-enoic acid?
The IUPAC name of dilithium;hydride;(Z)-octadec-9-enoic acid (CID 174491446) is dilithium;hydride;(Z)-octadec-9-enoic acid.
What is the SMILES notation for dilithium;hydride;(Z)-octadec-9-enoic acid?
The canonical SMILES for dilithium;hydride;(Z)-octadec-9-enoic acid is CCCCCCCC/C=C\CCCCCCCC(=O)O.[H-].[H-].[Li+].[Li+].
What is the InChIKey of dilithium;hydride;(Z)-octadec-9-enoic acid?
The InChIKey is OMSQEISXBULYAK-HKIWRJGFSA-N. The full InChI is InChI=1S/C18H34O2.2Li.2H/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);;;;/q;2*+1;2*-1/b10-9-;;;;.
What are the key properties of dilithium;hydride;(Z)-octadec-9-enoic acid?
dilithium;hydride;(Z)-octadec-9-enoic acid has a molecular weight of 298.37 g/mol, XLogP of 0.34, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydride;(Z)-octadec-9-enoic acid is sourced from PubChem (CID 174491446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).