[chloro(undecanoyloxy)gallanyl] undecanoate

C22H42ClGaO4 — CID 144651134

IUPAC[chloro(undecanoyloxy)gallanyl] undecanoate
SMILESCCCCCCCCCCC(=O)O[Ga](Cl)OC(=O)CCCCCCCCCC
InChIInChI=1S/2C11H22O2.ClH.Ga/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;;/h2*2-10H2,1H3,(H,12,13);1H;/q;;;+3/p-3
InChIKeyFXDURNYJMNGCMI-UHFFFAOYSA-K
MW475.75 g/mol
LogP7.36
Rot. Bonds20

About [chloro(undecanoyloxy)gallanyl] undecanoate

[chloro(undecanoyloxy)gallanyl] undecanoate (PubChem CID 144651134) has the molecular formula C22H42ClGaO4 and a molecular weight of 475.75 g/mol. Its IUPAC name is [chloro(undecanoyloxy)gallanyl] undecanoate.

Molecular Properties

Compound Name[chloro(undecanoyloxy)gallanyl] undecanoate
PubChem CID144651134
Molecular FormulaC22H42ClGaO4
Molecular Weight475.75 g/mol
Exact Mass474.20
IUPAC Name[chloro(undecanoyloxy)gallanyl] undecanoate
SMILESCCCCCCCCCCC(=O)O[Ga](Cl)OC(=O)CCCCCCCCCC
InChIInChI=1S/2C11H22O2.ClH.Ga/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;;/h2*2-10H2,1H3,(H,12,13);1H;/q;;;+3/p-3
InChIKeyFXDURNYJMNGCMI-UHFFFAOYSA-K
XLogP7.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.75
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[butanoyloxy(chloro)gallanyl] butanoate
CID 144651067
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ditetradecanoyl hexanedioate
CID 175560209
pentadecanoyl hexadecanoate
CID 87499774
heptadecanoyl heptadecaneperoxoate
CID 53438513
henicosanoyl docosanoate
CID 175302110
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185

Frequently Asked Questions

What is the IUPAC name of [chloro(undecanoyloxy)gallanyl] undecanoate?
The IUPAC name of [chloro(undecanoyloxy)gallanyl] undecanoate (CID 144651134) is [chloro(undecanoyloxy)gallanyl] undecanoate.
What is the SMILES notation for [chloro(undecanoyloxy)gallanyl] undecanoate?
The canonical SMILES for [chloro(undecanoyloxy)gallanyl] undecanoate is CCCCCCCCCCC(=O)O[Ga](Cl)OC(=O)CCCCCCCCCC.
What is the InChIKey of [chloro(undecanoyloxy)gallanyl] undecanoate?
The InChIKey is FXDURNYJMNGCMI-UHFFFAOYSA-K. The full InChI is InChI=1S/2C11H22O2.ClH.Ga/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;;/h2*2-10H2,1H3,(H,12,13);1H;/q;;;+3/p-3.
What are the key properties of [chloro(undecanoyloxy)gallanyl] undecanoate?
[chloro(undecanoyloxy)gallanyl] undecanoate has a molecular weight of 475.75 g/mol, XLogP of 7.36, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(undecanoyloxy)gallanyl] undecanoate is sourced from PubChem (CID 144651134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).