1-[amino(iodo)gallanyl]oxy-2-methylpropane

C4H11GaINO — CID 59818417

IUPAC1-[amino(iodo)gallanyl]oxy-2-methylpropane
SMILESCC(C)CO[Ga](N)I
InChIInChI=1S/C4H9O.Ga.HI.H2N/c1-4(2)3-5;;;/h4H,3H2,1-2H3;;1H;1H2/q-1;+3;;-1/p-1
InChIKeyFRKQUMHGGVQXFH-UHFFFAOYSA-M
MW285.77 g/mol
LogP1.04
Rot. Bonds3

About 1-[amino(iodo)gallanyl]oxy-2-methylpropane

1-[amino(iodo)gallanyl]oxy-2-methylpropane (PubChem CID 59818417) has the molecular formula C4H11GaINO and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[amino(iodo)gallanyl]oxy-2-methylpropane.

Molecular Properties

Compound Name1-[amino(iodo)gallanyl]oxy-2-methylpropane
PubChem CID59818417
Molecular FormulaC4H11GaINO
Molecular Weight285.77 g/mol
Exact Mass284.91
IUPAC Name1-[amino(iodo)gallanyl]oxy-2-methylpropane
SMILESCC(C)CO[Ga](N)I
InChIInChI=1S/C4H9O.Ga.HI.H2N/c1-4(2)3-5;;;/h4H,3H2,1-2H3;;1H;1H2/q-1;+3;;-1/p-1
InChIKeyFRKQUMHGGVQXFH-UHFFFAOYSA-M
XLogP1.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(iodo)gallanyl]oxy-2-methylpropane?
The IUPAC name of 1-[amino(iodo)gallanyl]oxy-2-methylpropane (CID 59818417) is 1-[amino(iodo)gallanyl]oxy-2-methylpropane.
What is the SMILES notation for 1-[amino(iodo)gallanyl]oxy-2-methylpropane?
The canonical SMILES for 1-[amino(iodo)gallanyl]oxy-2-methylpropane is CC(C)CO[Ga](N)I.
What is the InChIKey of 1-[amino(iodo)gallanyl]oxy-2-methylpropane?
The InChIKey is FRKQUMHGGVQXFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.Ga.HI.H2N/c1-4(2)3-5;;;/h4H,3H2,1-2H3;;1H;1H2/q-1;+3;;-1/p-1.
What are the key properties of 1-[amino(iodo)gallanyl]oxy-2-methylpropane?
1-[amino(iodo)gallanyl]oxy-2-methylpropane has a molecular weight of 285.77 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(iodo)gallanyl]oxy-2-methylpropane is sourced from PubChem (CID 59818417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).