magnesium;3-ethylcyclohexen-1-olate;bromide

C8H13BrMgO — CID 134862344

IUPACmagnesium;3-ethylcyclohexen-1-olate;bromide
SMILESCCC1C=C([O-])CCC1.[Br-].[Mg+2]
InChIInChI=1S/C8H14O.BrH.Mg/c1-2-7-4-3-5-8(9)6-7;;/h6-7,9H,2-5H2,1H3;1H;/q;;+2/p-2
InChIKeyBXXKETCTOVYRGB-UHFFFAOYSA-L
MW229.40 g/mol
LogP-1.94
Rot. Bonds1

About magnesium;3-ethylcyclohexen-1-olate;bromide

magnesium;3-ethylcyclohexen-1-olate;bromide (PubChem CID 134862344) has the molecular formula C8H13BrMgO and a molecular weight of 229.40 g/mol. Its IUPAC name is magnesium;3-ethylcyclohexen-1-olate;bromide.

Molecular Properties

Compound Namemagnesium;3-ethylcyclohexen-1-olate;bromide
PubChem CID134862344
Molecular FormulaC8H13BrMgO
Molecular Weight229.40 g/mol
Exact Mass228.00
IUPAC Namemagnesium;3-ethylcyclohexen-1-olate;bromide
SMILESCCC1C=C([O-])CCC1.[Br-].[Mg+2]
InChIInChI=1S/C8H14O.BrH.Mg/c1-2-7-4-3-5-8(9)6-7;;/h6-7,9H,2-5H2,1H3;1H;/q;;+2/p-2
InChIKeyBXXKETCTOVYRGB-UHFFFAOYSA-L
XLogP-1.94
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of magnesium;3-ethylcyclohexen-1-olate;bromide?
The IUPAC name of magnesium;3-ethylcyclohexen-1-olate;bromide (CID 134862344) is magnesium;3-ethylcyclohexen-1-olate;bromide.
What is the SMILES notation for magnesium;3-ethylcyclohexen-1-olate;bromide?
The canonical SMILES for magnesium;3-ethylcyclohexen-1-olate;bromide is CCC1C=C([O-])CCC1.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-ethylcyclohexen-1-olate;bromide?
The InChIKey is BXXKETCTOVYRGB-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H14O.BrH.Mg/c1-2-7-4-3-5-8(9)6-7;;/h6-7,9H,2-5H2,1H3;1H;/q;;+2/p-2.
What are the key properties of magnesium;3-ethylcyclohexen-1-olate;bromide?
magnesium;3-ethylcyclohexen-1-olate;bromide has a molecular weight of 229.40 g/mol, XLogP of -1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-ethylcyclohexen-1-olate;bromide is sourced from PubChem (CID 134862344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).