magnesium;butan-1-olate;bromide

C4H9BrMgO — CID 11805290

IUPACmagnesium;butan-1-olate;bromide
SMILESCCCC[O-].[Br-].[Mg+2]
InChIInChI=1S/C4H9O.BrH.Mg/c1-2-3-4-5;;/h2-4H2,1H3;1H;/q-1;;+2/p-1
InChIKeyMBTRTTIWMFMDQR-UHFFFAOYSA-M
MW177.32 g/mol
LogP-3.23
Rot. Bonds2

About magnesium;butan-1-olate;bromide

magnesium;butan-1-olate;bromide (PubChem CID 11805290) has the molecular formula C4H9BrMgO and a molecular weight of 177.32 g/mol. Its IUPAC name is magnesium;butan-1-olate;bromide.

Molecular Properties

Compound Namemagnesium;butan-1-olate;bromide
PubChem CID11805290
Molecular FormulaC4H9BrMgO
Molecular Weight177.32 g/mol
Exact Mass175.97
IUPAC Namemagnesium;butan-1-olate;bromide
SMILESCCCC[O-].[Br-].[Mg+2]
InChIInChI=1S/C4H9O.BrH.Mg/c1-2-3-4-5;;/h2-4H2,1H3;1H;/q-1;;+2/p-1
InChIKeyMBTRTTIWMFMDQR-UHFFFAOYSA-M
XLogP-3.23
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.32
LogP ≤ 5-3.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of magnesium;butan-1-olate;bromide?
The IUPAC name of magnesium;butan-1-olate;bromide (CID 11805290) is magnesium;butan-1-olate;bromide.
What is the SMILES notation for magnesium;butan-1-olate;bromide?
The canonical SMILES for magnesium;butan-1-olate;bromide is CCCC[O-].[Br-].[Mg+2].
What is the InChIKey of magnesium;butan-1-olate;bromide?
The InChIKey is MBTRTTIWMFMDQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.BrH.Mg/c1-2-3-4-5;;/h2-4H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;butan-1-olate;bromide?
magnesium;butan-1-olate;bromide has a molecular weight of 177.32 g/mol, XLogP of -3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butan-1-olate;bromide is sourced from PubChem (CID 11805290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).