magnesium;(4-methylcyclohexen-1-yl)benzene;bromide

C13H15BrMg — CID 88687464

IUPACmagnesium;(4-methylcyclohexen-1-yl)benzene;bromide
SMILESCC1CC=C(c2cc[c-]cc2)CC1.[Br-].[Mg+2]
InChIInChI=1S/C13H15.BrH.Mg/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;/h3-6,9,11H,7-8,10H2,1H3;1H;/q-1;;+2/p-1
InChIKeyGCLKNQWLRHNXSN-UHFFFAOYSA-M
MW275.47 g/mol
LogP0.31
Rot. Bonds1

About magnesium;(4-methylcyclohexen-1-yl)benzene;bromide

magnesium;(4-methylcyclohexen-1-yl)benzene;bromide (PubChem CID 88687464) has the molecular formula C13H15BrMg and a molecular weight of 275.47 g/mol. Its IUPAC name is magnesium;(4-methylcyclohexen-1-yl)benzene;bromide.

Molecular Properties

Compound Namemagnesium;(4-methylcyclohexen-1-yl)benzene;bromide
PubChem CID88687464
Molecular FormulaC13H15BrMg
Molecular Weight275.47 g/mol
Exact Mass274.02
IUPAC Namemagnesium;(4-methylcyclohexen-1-yl)benzene;bromide
SMILESCC1CC=C(c2cc[c-]cc2)CC1.[Br-].[Mg+2]
InChIInChI=1S/C13H15.BrH.Mg/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;/h3-6,9,11H,7-8,10H2,1H3;1H;/q-1;;+2/p-1
InChIKeyGCLKNQWLRHNXSN-UHFFFAOYSA-M
XLogP0.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.47
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;(4-methylcyclohexen-1-yl)benzene;bromide?
The IUPAC name of magnesium;(4-methylcyclohexen-1-yl)benzene;bromide (CID 88687464) is magnesium;(4-methylcyclohexen-1-yl)benzene;bromide.
What is the SMILES notation for magnesium;(4-methylcyclohexen-1-yl)benzene;bromide?
The canonical SMILES for magnesium;(4-methylcyclohexen-1-yl)benzene;bromide is CC1CC=C(c2cc[c-]cc2)CC1.[Br-].[Mg+2].
What is the InChIKey of magnesium;(4-methylcyclohexen-1-yl)benzene;bromide?
The InChIKey is GCLKNQWLRHNXSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15.BrH.Mg/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;/h3-6,9,11H,7-8,10H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;(4-methylcyclohexen-1-yl)benzene;bromide?
magnesium;(4-methylcyclohexen-1-yl)benzene;bromide has a molecular weight of 275.47 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(4-methylcyclohexen-1-yl)benzene;bromide is sourced from PubChem (CID 88687464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).