gallium 2-ethylhexanoate

C8H15GaO2+2 — CID 21118224

IUPACgallium 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)[O-].[Ga+3]
InChIInChI=1S/C8H16O2.Ga/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+3/p-1
InChIKeySSVPWOYIEZBICH-UHFFFAOYSA-M
MW212.93 g/mol
LogP0.57
Rot. Bonds5

About gallium 2-ethylhexanoate

gallium 2-ethylhexanoate (PubChem CID 21118224) has the molecular formula C8H15GaO2+2 and a molecular weight of 212.93 g/mol. Its IUPAC name is gallium 2-ethylhexanoate.

Molecular Properties

Compound Namegallium 2-ethylhexanoate
PubChem CID21118224
Molecular FormulaC8H15GaO2+2
Molecular Weight212.93 g/mol
Exact Mass212.03
IUPAC Namegallium 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)[O-].[Ga+3]
InChIInChI=1S/C8H16O2.Ga/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+3/p-1
InChIKeySSVPWOYIEZBICH-UHFFFAOYSA-M
XLogP0.57
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.93
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
2-ethylhexanoate;tin(2+)
CID 23616604
bis(2-ethylhexanoate);titanium(4+);dichloride
CID 173230651
decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))
CID 173457056
bis(2-ethylhexanoate);oxygen(2-);bis(zirconium(2+));dihydrate
CID 170851624
2-ethylhexanoate;bis(nickel(2+));acetate
CID 19733896

Frequently Asked Questions

What is the IUPAC name of gallium 2-ethylhexanoate?
The IUPAC name of gallium 2-ethylhexanoate (CID 21118224) is gallium 2-ethylhexanoate.
What is the SMILES notation for gallium 2-ethylhexanoate?
The canonical SMILES for gallium 2-ethylhexanoate is CCCCC(CC)C(=O)[O-].[Ga+3].
What is the InChIKey of gallium 2-ethylhexanoate?
The InChIKey is SSVPWOYIEZBICH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.Ga/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+3/p-1.
What are the key properties of gallium 2-ethylhexanoate?
gallium 2-ethylhexanoate has a molecular weight of 212.93 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gallium 2-ethylhexanoate is sourced from PubChem (CID 21118224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).