lithium octadecanoate

C18H35LiO2 — CID 517357

IUPAClithium octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[Li+]
InChIInChI=1S/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyHGPXWXLYXNVULB-UHFFFAOYSA-M
MW290.42 g/mol
LogP2.00
Rot. Bonds16

About lithium octadecanoate

lithium octadecanoate (PubChem CID 517357) has the molecular formula C18H35LiO2 and a molecular weight of 290.42 g/mol. Its IUPAC name is lithium octadecanoate.

Molecular Properties

Compound Namelithium octadecanoate
PubChem CID517357
Molecular FormulaC18H35LiO2
Molecular Weight290.42 g/mol
Exact Mass290.28
IUPAC Namelithium octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].[Li+]
InChIInChI=1S/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyHGPXWXLYXNVULB-UHFFFAOYSA-M
XLogP2.00
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium octadecanoate?
The IUPAC name of lithium octadecanoate (CID 517357) is lithium octadecanoate.
What is the SMILES notation for lithium octadecanoate?
The canonical SMILES for lithium octadecanoate is CCCCCCCCCCCCCCCCCC(=O)[O-].[Li+].
What is the InChIKey of lithium octadecanoate?
The InChIKey is HGPXWXLYXNVULB-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1.
What are the key properties of lithium octadecanoate?
lithium octadecanoate has a molecular weight of 290.42 g/mol, XLogP of 2.00, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium octadecanoate is sourced from PubChem (CID 517357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).