magnesium;3-methylpent-1-en-3-olate;bromide

C6H11BrMgO — CID 177132358

IUPACmagnesium;3-methylpent-1-en-3-olate;bromide
SMILESC=CC(C)([O-])CC.[Br-].[Mg+2]
InChIInChI=1S/C6H11O.BrH.Mg/c1-4-6(3,7)5-2;;/h4H,1,5H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyAVBWHFSSERCGLJ-UHFFFAOYSA-M
MW203.36 g/mol
LogP-2.68
Rot. Bonds2

About magnesium;3-methylpent-1-en-3-olate;bromide

magnesium;3-methylpent-1-en-3-olate;bromide (PubChem CID 177132358) has the molecular formula C6H11BrMgO and a molecular weight of 203.36 g/mol. Its IUPAC name is magnesium;3-methylpent-1-en-3-olate;bromide.

Molecular Properties

Compound Namemagnesium;3-methylpent-1-en-3-olate;bromide
PubChem CID177132358
Molecular FormulaC6H11BrMgO
Molecular Weight203.36 g/mol
Exact Mass201.98
IUPAC Namemagnesium;3-methylpent-1-en-3-olate;bromide
SMILESC=CC(C)([O-])CC.[Br-].[Mg+2]
InChIInChI=1S/C6H11O.BrH.Mg/c1-4-6(3,7)5-2;;/h4H,1,5H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyAVBWHFSSERCGLJ-UHFFFAOYSA-M
XLogP-2.68
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.36
LogP ≤ 5-2.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylhexa-1,5-dien-3-olate
CID 101095680
3-ethyl-4,4-dimethylpent-1-en-3-ol
CID 91529318
3,3-dimethylpent-1-ene;ethane
CID 142059460
3,3-difluorobut-1-ene;propane
CID 143721745
3,3,6,6-tetramethylocta-1,4-diene
CID 123152058
but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
CID 142056608
N,3-dimethylpent-1-en-3-amine
CID 123650218
3-ethylpenta-1,4-dien-3-ol
CID 131852756
3-ethyl-2,3-dimethylpenta-1,4-diene
CID 123241142
N-ethyl-3-methylpent-1-en-3-amine
CID 55286067
3,3-diethyl-5,5-dimethylhept-1-ene
CID 123741463
2-ethyl-2,3,3-trimethylpent-4-enal
CID 145209008

Frequently Asked Questions

What is the IUPAC name of magnesium;3-methylpent-1-en-3-olate;bromide?
The IUPAC name of magnesium;3-methylpent-1-en-3-olate;bromide (CID 177132358) is magnesium;3-methylpent-1-en-3-olate;bromide.
What is the SMILES notation for magnesium;3-methylpent-1-en-3-olate;bromide?
The canonical SMILES for magnesium;3-methylpent-1-en-3-olate;bromide is C=CC(C)([O-])CC.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-methylpent-1-en-3-olate;bromide?
The InChIKey is AVBWHFSSERCGLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11O.BrH.Mg/c1-4-6(3,7)5-2;;/h4H,1,5H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-methylpent-1-en-3-olate;bromide?
magnesium;3-methylpent-1-en-3-olate;bromide has a molecular weight of 203.36 g/mol, XLogP of -2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-methylpent-1-en-3-olate;bromide is sourced from PubChem (CID 177132358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).