lithium octatriacontanoate

C38H75LiO2 — CID 139791501

IUPAClithium octatriacontanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Li+]
InChIInChI=1S/C38H76O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40;/h2-37H2,1H3,(H,39,40);/q;+1/p-1
InChIKeyCSRYUTVFGIBGPJ-UHFFFAOYSA-M
MW570.96 g/mol
LogP9.80
Rot. Bonds36

About lithium octatriacontanoate

lithium octatriacontanoate (PubChem CID 139791501) has the molecular formula C38H75LiO2 and a molecular weight of 570.96 g/mol. Its IUPAC name is lithium octatriacontanoate.

Molecular Properties

Compound Namelithium octatriacontanoate
PubChem CID139791501
Molecular FormulaC38H75LiO2
Molecular Weight570.96 g/mol
Exact Mass570.59
IUPAC Namelithium octatriacontanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Li+]
InChIInChI=1S/C38H76O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40;/h2-37H2,1H3,(H,39,40);/q;+1/p-1
InChIKeyCSRYUTVFGIBGPJ-UHFFFAOYSA-M
XLogP9.80
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.96
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium octatriacontanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium nonapentacontanoate
CID 139791529
lithium;sodium;bis(octadecanoate)
CID 159275770
aluminum;lithium;tetrakis(octadecanoate)
CID 159733427
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554

Frequently Asked Questions

What is the IUPAC name of lithium octatriacontanoate?
The IUPAC name of lithium octatriacontanoate (CID 139791501) is lithium octatriacontanoate.
What is the SMILES notation for lithium octatriacontanoate?
The canonical SMILES for lithium octatriacontanoate is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Li+].
What is the InChIKey of lithium octatriacontanoate?
The InChIKey is CSRYUTVFGIBGPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C38H76O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40;/h2-37H2,1H3,(H,39,40);/q;+1/p-1.
What are the key properties of lithium octatriacontanoate?
lithium octatriacontanoate has a molecular weight of 570.96 g/mol, XLogP of 9.80, 36 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium octatriacontanoate is sourced from PubChem (CID 139791501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).