lithium;disodium;7-methylnonadecane;propanedioate

C23H43LiNa2O4 — CID 174967552

IUPAClithium;disodium;7-methylnonadecane;propanedioate
SMILESCCCCCCCCCCCC[C-](C)CCCCCC.O=C([O-])CC(=O)[O-].[Li+].[Na+].[Na+]
InChIInChI=1S/C20H41.C3H4O4.Li.2Na/c1-4-6-8-10-11-12-13-14-15-17-19-20(3)18-16-9-7-5-2;4-2(5)1-3(6)7;;;/h4-19H2,1-3H3;1H2,(H,4,5)(H,6,7);;;/q-1;;3*+1/p-2
InChIKeyRELJRJJQDPQNEW-UHFFFAOYSA-L
MW436.51 g/mol
LogP-4.25
Rot. Bonds18

About lithium;disodium;7-methylnonadecane;propanedioate

lithium;disodium;7-methylnonadecane;propanedioate (PubChem CID 174967552) has the molecular formula C23H43LiNa2O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is lithium;disodium;7-methylnonadecane;propanedioate.

Molecular Properties

Compound Namelithium;disodium;7-methylnonadecane;propanedioate
PubChem CID174967552
Molecular FormulaC23H43LiNa2O4
Molecular Weight436.51 g/mol
Exact Mass436.31
IUPAC Namelithium;disodium;7-methylnonadecane;propanedioate
SMILESCCCCCCCCCCCC[C-](C)CCCCCC.O=C([O-])CC(=O)[O-].[Li+].[Na+].[Na+]
InChIInChI=1S/C20H41.C3H4O4.Li.2Na/c1-4-6-8-10-11-12-13-14-15-17-19-20(3)18-16-9-7-5-2;4-2(5)1-3(6)7;;;/h4-19H2,1-3H3;1H2,(H,4,5)(H,6,7);;;/q-1;;3*+1/p-2
InChIKeyRELJRJJQDPQNEW-UHFFFAOYSA-L
XLogP-4.25
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 5-4.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium;disodium;7-methylnonadecane;propanedioate 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

sodium;5-methylpentadecane;propanedioic acid
CID 175329587
butylazanide;platinum(4+);propanedioate
CID 131884572
lithium;sodium;bis(octadecanoate)
CID 159275770
sodium 3-oxooctadecanoate
CID 155047798
sodium heptadecanoate
CID 23663632
sodium pentadecanoate
CID 23663638
lithium octatriacontanoate
CID 139791501
lithium nonapentacontanoate
CID 139791529
sodium hentriacontanoate
CID 139987799
sodium;octanamide;propanoate
CID 158225803
3-oxotriacontanoate
CID 171037411
magnesium;butane;propanedioate
CID 18427664

Frequently Asked Questions

What is the IUPAC name of lithium;disodium;7-methylnonadecane;propanedioate?
The IUPAC name of lithium;disodium;7-methylnonadecane;propanedioate (CID 174967552) is lithium;disodium;7-methylnonadecane;propanedioate.
What is the SMILES notation for lithium;disodium;7-methylnonadecane;propanedioate?
The canonical SMILES for lithium;disodium;7-methylnonadecane;propanedioate is CCCCCCCCCCCC[C-](C)CCCCCC.O=C([O-])CC(=O)[O-].[Li+].[Na+].[Na+].
What is the InChIKey of lithium;disodium;7-methylnonadecane;propanedioate?
The InChIKey is RELJRJJQDPQNEW-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H41.C3H4O4.Li.2Na/c1-4-6-8-10-11-12-13-14-15-17-19-20(3)18-16-9-7-5-2;4-2(5)1-3(6)7;;;/h4-19H2,1-3H3;1H2,(H,4,5)(H,6,7);;;/q-1;;3*+1/p-2.
What are the key properties of lithium;disodium;7-methylnonadecane;propanedioate?
lithium;disodium;7-methylnonadecane;propanedioate has a molecular weight of 436.51 g/mol, XLogP of -4.25, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;disodium;7-methylnonadecane;propanedioate is sourced from PubChem (CID 174967552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).