magnesium;(E)-but-2-en-1-olate;bromide

C4H7BrMgO — CID 134896053

IUPACmagnesium;(E)-but-2-en-1-olate;bromide
SMILESC/C=C/C[O-].[Br-].[Mg+2]
InChIInChI=1S/C4H7O.BrH.Mg/c1-2-3-4-5;;/h2-3H,4H2,1H3;1H;/q-1;;+2/p-1/b3-2+;;
InChIKeyVOCCMWBITZVRJR-WTVBWJGASA-M
MW175.31 g/mol
LogP-3.45
Rot. Bonds1

About magnesium;(E)-but-2-en-1-olate;bromide

magnesium;(E)-but-2-en-1-olate;bromide (PubChem CID 134896053) has the molecular formula C4H7BrMgO and a molecular weight of 175.31 g/mol. Its IUPAC name is magnesium;(E)-but-2-en-1-olate;bromide.

Molecular Properties

Compound Namemagnesium;(E)-but-2-en-1-olate;bromide
PubChem CID134896053
Molecular FormulaC4H7BrMgO
Molecular Weight175.31 g/mol
Exact Mass173.95
IUPAC Namemagnesium;(E)-but-2-en-1-olate;bromide
SMILESC/C=C/C[O-].[Br-].[Mg+2]
InChIInChI=1S/C4H7O.BrH.Mg/c1-2-3-4-5;;/h2-3H,4H2,1H3;1H;/q-1;;+2/p-1/b3-2+;;
InChIKeyVOCCMWBITZVRJR-WTVBWJGASA-M
XLogP-3.45
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.31
LogP ≤ 5-3.45
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

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CID 15173349
hepta-2,5-diene;rhodium
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(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
ethane;(2Z,5Z)-hepta-2,5-diene
CID 142853970
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
N-[(E)-but-2-enyl]methanimine
CID 18710621
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422
1-but-2-enoxy-3-methylbut-2-ene
CID 71324581
1-prop-1-enoxybut-2-ene
CID 21944

Frequently Asked Questions

What is the IUPAC name of magnesium;(E)-but-2-en-1-olate;bromide?
The IUPAC name of magnesium;(E)-but-2-en-1-olate;bromide (CID 134896053) is magnesium;(E)-but-2-en-1-olate;bromide.
What is the SMILES notation for magnesium;(E)-but-2-en-1-olate;bromide?
The canonical SMILES for magnesium;(E)-but-2-en-1-olate;bromide is C/C=C/C[O-].[Br-].[Mg+2].
What is the InChIKey of magnesium;(E)-but-2-en-1-olate;bromide?
The InChIKey is VOCCMWBITZVRJR-WTVBWJGASA-M. The full InChI is InChI=1S/C4H7O.BrH.Mg/c1-2-3-4-5;;/h2-3H,4H2,1H3;1H;/q-1;;+2/p-1/b3-2+;;.
What are the key properties of magnesium;(E)-but-2-en-1-olate;bromide?
magnesium;(E)-but-2-en-1-olate;bromide has a molecular weight of 175.31 g/mol, XLogP of -3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(E)-but-2-en-1-olate;bromide is sourced from PubChem (CID 134896053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).