magnesium;bromocyclopropane;diacetate

C7H11BrMgO4 — CID 175020388

IUPACmagnesium;bromocyclopropane;diacetate
SMILESBrC1CC1.CC(=O)[O-].CC(=O)[O-].[Mg+2]
InChIInChI=1S/C3H5Br.2C2H4O2.Mg/c4-3-1-2-3;2*1-2(3)4;/h3H,1-2H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyFPTKTEMGZMUOCX-UHFFFAOYSA-L
MW263.37 g/mol
LogP-1.32
Rot. Bonds

About magnesium;bromocyclopropane;diacetate

magnesium;bromocyclopropane;diacetate (PubChem CID 175020388) has the molecular formula C7H11BrMgO4 and a molecular weight of 263.37 g/mol. Its IUPAC name is magnesium;bromocyclopropane;diacetate.

Molecular Properties

Compound Namemagnesium;bromocyclopropane;diacetate
PubChem CID175020388
Molecular FormulaC7H11BrMgO4
Molecular Weight263.37 g/mol
Exact Mass261.97
IUPAC Namemagnesium;bromocyclopropane;diacetate
SMILESBrC1CC1.CC(=O)[O-].CC(=O)[O-].[Mg+2]
InChIInChI=1S/C3H5Br.2C2H4O2.Mg/c4-3-1-2-3;2*1-2(3)4;/h3H,1-2H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyFPTKTEMGZMUOCX-UHFFFAOYSA-L
XLogP-1.32
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium;methanolate;acetate
CID 140982127
dimagnesium;tetraacetate;hydrate
CID 139682585
1-(4-bromocyclohexyl)ethanone
CID 118688836
tricyclopentylsulfanium acetate
CID 162329415
manganese(3+) diacetate
CID 159209977
tricalcium diacetate
CID 19804487
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
tris(barium(2+)) diacetate
CID 19804496
nonasodium;nonaacetate
CID 173443222

Frequently Asked Questions

What is the IUPAC name of magnesium;bromocyclopropane;diacetate?
The IUPAC name of magnesium;bromocyclopropane;diacetate (CID 175020388) is magnesium;bromocyclopropane;diacetate.
What is the SMILES notation for magnesium;bromocyclopropane;diacetate?
The canonical SMILES for magnesium;bromocyclopropane;diacetate is BrC1CC1.CC(=O)[O-].CC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium;bromocyclopropane;diacetate?
The InChIKey is FPTKTEMGZMUOCX-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H5Br.2C2H4O2.Mg/c4-3-1-2-3;2*1-2(3)4;/h3H,1-2H2;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of magnesium;bromocyclopropane;diacetate?
magnesium;bromocyclopropane;diacetate has a molecular weight of 263.37 g/mol, XLogP of -1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bromocyclopropane;diacetate is sourced from PubChem (CID 175020388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).