ethyl(methyl)(68Ga)gallane

C3H9Ga — CID 159181794

IUPACethyl(methyl)(68Ga)gallane
SMILESCC[68GaH]C
InChIInChI=1S/C2H5.CH3.Ga.H/c1-2;;;/h1H2,2H3;1H3;;/i;;1-2;
InChIKeyCPXZUTJAXRCBCS-QSPFTXAWSA-N
MW113.03 g/mol
LogP0.91
Rot. Bonds1

About ethyl(methyl)(68Ga)gallane

ethyl(methyl)(68Ga)gallane (PubChem CID 159181794) has the molecular formula C3H9Ga and a molecular weight of 113.03 g/mol. Its IUPAC name is ethyl(methyl)(68Ga)gallane.

Molecular Properties

Compound Nameethyl(methyl)(68Ga)gallane
PubChem CID159181794
Molecular FormulaC3H9Ga
Molecular Weight113.03 g/mol
Exact Mass113.00
IUPAC Nameethyl(methyl)(68Ga)gallane
SMILESCC[68GaH]C
InChIInChI=1S/C2H5.CH3.Ga.H/c1-2;;;/h1H2,2H3;1H3;;/i;;1-2;
InChIKeyCPXZUTJAXRCBCS-QSPFTXAWSA-N
XLogP0.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.03
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethyl(methyl)(68Ga)gallane?
The IUPAC name of ethyl(methyl)(68Ga)gallane (CID 159181794) is ethyl(methyl)(68Ga)gallane.
What is the SMILES notation for ethyl(methyl)(68Ga)gallane?
The canonical SMILES for ethyl(methyl)(68Ga)gallane is CC[68GaH]C.
What is the InChIKey of ethyl(methyl)(68Ga)gallane?
The InChIKey is CPXZUTJAXRCBCS-QSPFTXAWSA-N. The full InChI is InChI=1S/C2H5.CH3.Ga.H/c1-2;;;/h1H2,2H3;1H3;;/i;;1-2;.
What are the key properties of ethyl(methyl)(68Ga)gallane?
ethyl(methyl)(68Ga)gallane has a molecular weight of 113.03 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(methyl)(68Ga)gallane is sourced from PubChem (CID 159181794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).