tris(dodecanoic acid);lanthanum

C36H72LaO6 — CID 172783441

IUPACtris(dodecanoic acid);lanthanum
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.[La]
InChIInChI=1S/3C12H24O2.La/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);
InChIKeyOOLWJPLRSMFEMM-UHFFFAOYSA-N
MW739.87 g/mol
LogP11.98
Rot. Bonds30

About tris(dodecanoic acid);lanthanum

tris(dodecanoic acid);lanthanum (PubChem CID 172783441) has the molecular formula C36H72LaO6 and a molecular weight of 739.87 g/mol. Its IUPAC name is tris(dodecanoic acid);lanthanum.

Molecular Properties

Compound Nametris(dodecanoic acid);lanthanum
PubChem CID172783441
Molecular FormulaC36H72LaO6
Molecular Weight739.87 g/mol
Exact Mass739.44
IUPAC Nametris(dodecanoic acid);lanthanum
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.[La]
InChIInChI=1S/3C12H24O2.La/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);
InChIKeyOOLWJPLRSMFEMM-UHFFFAOYSA-N
XLogP11.98
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.87
LogP ≤ 511.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of tris(dodecanoic acid);lanthanum?
The IUPAC name of tris(dodecanoic acid);lanthanum (CID 172783441) is tris(dodecanoic acid);lanthanum.
What is the SMILES notation for tris(dodecanoic acid);lanthanum?
The canonical SMILES for tris(dodecanoic acid);lanthanum is CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.[La].
What is the InChIKey of tris(dodecanoic acid);lanthanum?
The InChIKey is OOLWJPLRSMFEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H24O2.La/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h3*2-11H2,1H3,(H,13,14);.
What are the key properties of tris(dodecanoic acid);lanthanum?
tris(dodecanoic acid);lanthanum has a molecular weight of 739.87 g/mol, XLogP of 11.98, 30 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dodecanoic acid);lanthanum is sourced from PubChem (CID 172783441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).