diethyl(hex-1-ynyl)gallane

C10H19Ga — CID 177419145

IUPACdiethyl(hex-1-ynyl)gallane
SMILESCCCCC#C[Ga](CC)CC
InChIInChI=1S/C6H9.2C2H5.Ga/c1-3-5-6-4-2;2*1-2;/h3,5-6H2,1H3;2*1H2,2H3;
InChIKeyQEIQHZSLOQOOSZ-UHFFFAOYSA-N
MW208.98 g/mol
LogP3.25
Rot. Bonds4

About diethyl(hex-1-ynyl)gallane

diethyl(hex-1-ynyl)gallane (PubChem CID 177419145) has the molecular formula C10H19Ga and a molecular weight of 208.98 g/mol. Its IUPAC name is diethyl(hex-1-ynyl)gallane.

Molecular Properties

Compound Namediethyl(hex-1-ynyl)gallane
PubChem CID177419145
Molecular FormulaC10H19Ga
Molecular Weight208.98 g/mol
Exact Mass208.07
IUPAC Namediethyl(hex-1-ynyl)gallane
SMILESCCCCC#C[Ga](CC)CC
InChIInChI=1S/C6H9.2C2H5.Ga/c1-3-5-6-4-2;2*1-2;/h3,5-6H2,1H3;2*1H2,2H3;
InChIKeyQEIQHZSLOQOOSZ-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.98
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentadeca-5,10-diyne
CID 15530767
tetradeca-4,9-diyne
CID 173328648
hex-1-ynyl-bis(2-methylpropyl)alumane
CID 86185013
methane;bis(oct-3-yne)
CID 159540057
(Hex-1-yn-1-yl)silane
CID 13112953
cobalt;hept-2-yne
CID 174831630
1-fluorohex-1-yne
CID 87549340
hex-1-yn-1-amine
CID 15451863
henicos-8-yne
CID 22224321
CID 90985110
CID 90985110
dodeca-4,7-diyne
CID 173074460
trideca-2,8-diyne
CID 90921383

Frequently Asked Questions

What is the IUPAC name of diethyl(hex-1-ynyl)gallane?
The IUPAC name of diethyl(hex-1-ynyl)gallane (CID 177419145) is diethyl(hex-1-ynyl)gallane.
What is the SMILES notation for diethyl(hex-1-ynyl)gallane?
The canonical SMILES for diethyl(hex-1-ynyl)gallane is CCCCC#C[Ga](CC)CC.
What is the InChIKey of diethyl(hex-1-ynyl)gallane?
The InChIKey is QEIQHZSLOQOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.2C2H5.Ga/c1-3-5-6-4-2;2*1-2;/h3,5-6H2,1H3;2*1H2,2H3;.
What are the key properties of diethyl(hex-1-ynyl)gallane?
diethyl(hex-1-ynyl)gallane has a molecular weight of 208.98 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(hex-1-ynyl)gallane is sourced from PubChem (CID 177419145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).