[butanoyloxy(chloro)gallanyl] butanoate

C8H14ClGaO4 — CID 144651067

IUPAC[butanoyloxy(chloro)gallanyl] butanoate
SMILESCCCC(=O)O[Ga](Cl)OC(=O)CCC
InChIInChI=1S/2C4H8O2.ClH.Ga/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);1H;/q;;;+3/p-3
InChIKeyYQKADMROAWTYOX-UHFFFAOYSA-K
MW279.37 g/mol
LogP1.90
Rot. Bonds6

About [butanoyloxy(chloro)gallanyl] butanoate

[butanoyloxy(chloro)gallanyl] butanoate (PubChem CID 144651067) has the molecular formula C8H14ClGaO4 and a molecular weight of 279.37 g/mol. Its IUPAC name is [butanoyloxy(chloro)gallanyl] butanoate.

Molecular Properties

Compound Name[butanoyloxy(chloro)gallanyl] butanoate
PubChem CID144651067
Molecular FormulaC8H14ClGaO4
Molecular Weight279.37 g/mol
Exact Mass277.98
IUPAC Name[butanoyloxy(chloro)gallanyl] butanoate
SMILESCCCC(=O)O[Ga](Cl)OC(=O)CCC
InChIInChI=1S/2C4H8O2.ClH.Ga/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);1H;/q;;;+3/p-3
InChIKeyYQKADMROAWTYOX-UHFFFAOYSA-K
XLogP1.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[chloro(undecanoyloxy)gallanyl] undecanoate
CID 144651134
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
chloro butanoate;silver
CID 175006777
dibutanoyl butanedioate
CID 88643975
chloromethyl butanoate
CID 2725008
sodium;butanoyl butanoate;hydride
CID 173362700
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
ethyl butanoate;ethyl propanoate
CID 159309203
ethyl butaneperoxoate;zirconium
CID 159069953
butane-2,3-dione;ethyl butanoate
CID 158568600

Frequently Asked Questions

What is the IUPAC name of [butanoyloxy(chloro)gallanyl] butanoate?
The IUPAC name of [butanoyloxy(chloro)gallanyl] butanoate (CID 144651067) is [butanoyloxy(chloro)gallanyl] butanoate.
What is the SMILES notation for [butanoyloxy(chloro)gallanyl] butanoate?
The canonical SMILES for [butanoyloxy(chloro)gallanyl] butanoate is CCCC(=O)O[Ga](Cl)OC(=O)CCC.
What is the InChIKey of [butanoyloxy(chloro)gallanyl] butanoate?
The InChIKey is YQKADMROAWTYOX-UHFFFAOYSA-K. The full InChI is InChI=1S/2C4H8O2.ClH.Ga/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);1H;/q;;;+3/p-3.
What are the key properties of [butanoyloxy(chloro)gallanyl] butanoate?
[butanoyloxy(chloro)gallanyl] butanoate has a molecular weight of 279.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyloxy(chloro)gallanyl] butanoate is sourced from PubChem (CID 144651067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).