gallium tris(pentanoate)

C15H27GaO6 — CID 173230335

IUPACgallium tris(pentanoate)
SMILESCCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-].[Ga+3]
InChIInChI=1S/3C5H10O2.Ga/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);/q;;;+3/p-3
InChIKeyYXUPKDVGRYHNHV-UHFFFAOYSA-K
MW373.10 g/mol
LogP-0.60
Rot. Bonds9

About gallium tris(pentanoate)

gallium tris(pentanoate) (PubChem CID 173230335) has the molecular formula C15H27GaO6 and a molecular weight of 373.10 g/mol. Its IUPAC name is gallium tris(pentanoate).

Molecular Properties

Compound Namegallium tris(pentanoate)
PubChem CID173230335
Molecular FormulaC15H27GaO6
Molecular Weight373.10 g/mol
Exact Mass372.11
IUPAC Namegallium tris(pentanoate)
SMILESCCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-].[Ga+3]
InChIInChI=1S/3C5H10O2.Ga/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);/q;;;+3/p-3
InChIKeyYXUPKDVGRYHNHV-UHFFFAOYSA-K
XLogP-0.60
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.10
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze gallium tris(pentanoate) 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

azanium tris(pentanoate)
CID 21124108
barium(2+);bis(pentanoate)
CID 14619942
tris(pentanoate);rhodium(3+)
CID 51036063
iodanium pentanoate
CID 87769963
gold(3+);tris(pentanoate)
CID 157094863
methylazanium;pentanoate
CID 87904000
gallium tris(decanoate)
CID 23501641
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
4-oxopentanoate;pentanoate
CID 21431295
tetrakis(hexadecanoate);iridium
CID 173340545

Frequently Asked Questions

What is the IUPAC name of gallium tris(pentanoate)?
The IUPAC name of gallium tris(pentanoate) (CID 173230335) is gallium tris(pentanoate).
What is the SMILES notation for gallium tris(pentanoate)?
The canonical SMILES for gallium tris(pentanoate) is CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-].[Ga+3].
What is the InChIKey of gallium tris(pentanoate)?
The InChIKey is YXUPKDVGRYHNHV-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H10O2.Ga/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);/q;;;+3/p-3.
What are the key properties of gallium tris(pentanoate)?
gallium tris(pentanoate) has a molecular weight of 373.10 g/mol, XLogP of -0.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gallium tris(pentanoate) is sourced from PubChem (CID 173230335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).