bromo-bis(2-ethylhexyl)gallane

C16H34BrGa — CID 178181676

IUPACbromo-bis(2-ethylhexyl)gallane
SMILESCCCCC(CC)C[Ga](Br)CC(CC)CCCC
InChIInChI=1S/2C8H17.BrH.Ga/c2*1-4-6-7-8(3)5-2;;/h2*8H,3-7H2,1-2H3;1H;/q;;;+1/p-1
InChIKeyCFVQSZCMZDQRRD-UHFFFAOYSA-M
MW376.08 g/mol
LogP6.81
Rot. Bonds12

About bromo-bis(2-ethylhexyl)gallane

bromo-bis(2-ethylhexyl)gallane (PubChem CID 178181676) has the molecular formula C16H34BrGa and a molecular weight of 376.08 g/mol. Its IUPAC name is bromo-bis(2-ethylhexyl)gallane.

Molecular Properties

Compound Namebromo-bis(2-ethylhexyl)gallane
PubChem CID178181676
Molecular FormulaC16H34BrGa
Molecular Weight376.08 g/mol
Exact Mass374.11
IUPAC Namebromo-bis(2-ethylhexyl)gallane
SMILESCCCCC(CC)C[Ga](Br)CC(CC)CCCC
InChIInChI=1S/2C8H17.BrH.Ga/c2*1-4-6-7-8(3)5-2;;/h2*8H,3-7H2,1-2H3;1H;/q;;;+1/p-1
InChIKeyCFVQSZCMZDQRRD-UHFFFAOYSA-M
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(2S)-2-ethylhexan-1-amine
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bromo-tris(2-ethylhexyl)silane
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1-bromo-2-(bromomethyl)-4-ethyloctane
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7-ethyltetradecane
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3-ethyloctane;propane
CID 143682929
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CID 528487
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Frequently Asked Questions

What is the IUPAC name of bromo-bis(2-ethylhexyl)gallane?
The IUPAC name of bromo-bis(2-ethylhexyl)gallane (CID 178181676) is bromo-bis(2-ethylhexyl)gallane.
What is the SMILES notation for bromo-bis(2-ethylhexyl)gallane?
The canonical SMILES for bromo-bis(2-ethylhexyl)gallane is CCCCC(CC)C[Ga](Br)CC(CC)CCCC.
What is the InChIKey of bromo-bis(2-ethylhexyl)gallane?
The InChIKey is CFVQSZCMZDQRRD-UHFFFAOYSA-M. The full InChI is InChI=1S/2C8H17.BrH.Ga/c2*1-4-6-7-8(3)5-2;;/h2*8H,3-7H2,1-2H3;1H;/q;;;+1/p-1.
What are the key properties of bromo-bis(2-ethylhexyl)gallane?
bromo-bis(2-ethylhexyl)gallane has a molecular weight of 376.08 g/mol, XLogP of 6.81, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-bis(2-ethylhexyl)gallane is sourced from PubChem (CID 178181676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).