CID 173418360

C24H45AlNdO6 — CID 173418360

IUPAC—
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Al].[Nd+3]
InChIInChI=1S/3C8H16O2.Al.Nd/c3*1-2-3-4-5-6-7-8(9)10;;/h3*2-7H2,1H3,(H,9,10);;/q;;;;+3/p-3
InChIKeyKEPLUPCWKNHBEQ-UHFFFAOYSA-K
MW600.84 g/mol
LogP2.91
Rot. Bonds18

About CID 173418360

CID 173418360 (PubChem CID 173418360) has the molecular formula C24H45AlNdO6 and a molecular weight of 600.84 g/mol.

Molecular Properties

Compound NameCID 173418360
PubChem CID173418360
Molecular FormulaC24H45AlNdO6
Molecular Weight600.84 g/mol
Exact Mass598.21
IUPAC Name—
SMILESCCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Al].[Nd+3]
InChIInChI=1S/3C8H16O2.Al.Nd/c3*1-2-3-4-5-6-7-8(9)10;;/h3*2-7H2,1H3,(H,9,10);;/q;;;;+3/p-3
InChIKeyKEPLUPCWKNHBEQ-UHFFFAOYSA-K
XLogP2.91
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.84
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(dodecanoate);neodymium(3+)
CID 15904715
neodymium(3+);tris(tetradecanoate)
CID 175189497
CID 57357175
CID 57357175
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
manganese(2+);bis(tricosanoate)
CID 100951425
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452

Frequently Asked Questions

What is the IUPAC name of CID 173418360?
The IUPAC name of CID 173418360 (CID 173418360) is not available.
What is the SMILES notation for CID 173418360?
The canonical SMILES for CID 173418360 is CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Al].[Nd+3].
What is the InChIKey of CID 173418360?
The InChIKey is KEPLUPCWKNHBEQ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H16O2.Al.Nd/c3*1-2-3-4-5-6-7-8(9)10;;/h3*2-7H2,1H3,(H,9,10);;/q;;;;+3/p-3.
What are the key properties of CID 173418360?
CID 173418360 has a molecular weight of 600.84 g/mol, XLogP of 2.91, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173418360 is sourced from PubChem (CID 173418360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).