magnesium;hexanoate;bromide

C6H11BrMgO2 — CID 175219586

IUPACmagnesium;hexanoate;bromide
SMILESCCCCCC(=O)[O-].[Br-].[Mg+2]
InChIInChI=1S/C6H12O2.BrH.Mg/c1-2-3-4-5-6(7)8;;/h2-5H2,1H3,(H,7,8);1H;/q;;+2/p-2
InChIKeyNCEYVQIZXFJKQY-UHFFFAOYSA-L
MW219.36 g/mol
LogP-3.06
Rot. Bonds4

About magnesium;hexanoate;bromide

magnesium;hexanoate;bromide (PubChem CID 175219586) has the molecular formula C6H11BrMgO2 and a molecular weight of 219.36 g/mol. Its IUPAC name is magnesium;hexanoate;bromide.

Molecular Properties

Compound Namemagnesium;hexanoate;bromide
PubChem CID175219586
Molecular FormulaC6H11BrMgO2
Molecular Weight219.36 g/mol
Exact Mass217.98
IUPAC Namemagnesium;hexanoate;bromide
SMILESCCCCCC(=O)[O-].[Br-].[Mg+2]
InChIInChI=1S/C6H12O2.BrH.Mg/c1-2-3-4-5-6(7)8;;/h2-5H2,1H3,(H,7,8);1H;/q;;+2/p-2
InChIKeyNCEYVQIZXFJKQY-UHFFFAOYSA-L
XLogP-3.06
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 5-3.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19043233
dimagnesium;tetrakis(octanoate)
CID 160745729
trimagnesium;tris(octadecanoate)
CID 159626374
magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488
magnesium;octanoate;chloride
CID 172837629
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
calcium;hexadecanoate;octadecanoate
CID 22065418

Frequently Asked Questions

What is the IUPAC name of magnesium;hexanoate;bromide?
The IUPAC name of magnesium;hexanoate;bromide (CID 175219586) is magnesium;hexanoate;bromide.
What is the SMILES notation for magnesium;hexanoate;bromide?
The canonical SMILES for magnesium;hexanoate;bromide is CCCCCC(=O)[O-].[Br-].[Mg+2].
What is the InChIKey of magnesium;hexanoate;bromide?
The InChIKey is NCEYVQIZXFJKQY-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12O2.BrH.Mg/c1-2-3-4-5-6(7)8;;/h2-5H2,1H3,(H,7,8);1H;/q;;+2/p-2.
What are the key properties of magnesium;hexanoate;bromide?
magnesium;hexanoate;bromide has a molecular weight of 219.36 g/mol, XLogP of -3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hexanoate;bromide is sourced from PubChem (CID 175219586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).