gallium tris(decanoate)

C30H57GaO6 — CID 23501641

IUPACgallium tris(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Ga+3]
InChIInChI=1S/3C10H20O2.Ga/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3
InChIKeyLUJWMSVWONKYTA-UHFFFAOYSA-K
MW583.50 g/mol
LogP5.25
Rot. Bonds24

About gallium tris(decanoate)

gallium tris(decanoate) (PubChem CID 23501641) has the molecular formula C30H57GaO6 and a molecular weight of 583.50 g/mol. Its IUPAC name is gallium tris(decanoate).

Molecular Properties

Compound Namegallium tris(decanoate)
PubChem CID23501641
Molecular FormulaC30H57GaO6
Molecular Weight583.50 g/mol
Exact Mass582.34
IUPAC Namegallium tris(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Ga+3]
InChIInChI=1S/3C10H20O2.Ga/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3
InChIKeyLUJWMSVWONKYTA-UHFFFAOYSA-K
XLogP5.25
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.50
LogP ≤ 55.25
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

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
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
tetrakis(octadecanoate);thorium(4+)
CID 160802738

Frequently Asked Questions

What is the IUPAC name of gallium tris(decanoate)?
The IUPAC name of gallium tris(decanoate) (CID 23501641) is gallium tris(decanoate).
What is the SMILES notation for gallium tris(decanoate)?
The canonical SMILES for gallium tris(decanoate) is CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Ga+3].
What is the InChIKey of gallium tris(decanoate)?
The InChIKey is LUJWMSVWONKYTA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H20O2.Ga/c3*1-2-3-4-5-6-7-8-9-10(11)12;/h3*2-9H2,1H3,(H,11,12);/q;;;+3/p-3.
What are the key properties of gallium tris(decanoate)?
gallium tris(decanoate) has a molecular weight of 583.50 g/mol, XLogP of 5.25, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gallium tris(decanoate) is sourced from PubChem (CID 23501641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).