magnesium;1,1,3-trimethylcyclohexane;bromide

C9H17BrMg — CID 151699481

IUPACmagnesium;1,1,3-trimethylcyclohexane;bromide
SMILESC[C-]1CCCC(C)(C)C1.[Br-].[Mg+2]
InChIInChI=1S/C9H17.BrH.Mg/c1-8-5-4-6-9(2,3)7-8;;/h4-7H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyWFSVKYCICUZACG-UHFFFAOYSA-M
MW229.44 g/mol
LogP-0.20
Rot. Bonds

About magnesium;1,1,3-trimethylcyclohexane;bromide

magnesium;1,1,3-trimethylcyclohexane;bromide (PubChem CID 151699481) has the molecular formula C9H17BrMg and a molecular weight of 229.44 g/mol. Its IUPAC name is magnesium;1,1,3-trimethylcyclohexane;bromide.

Molecular Properties

Compound Namemagnesium;1,1,3-trimethylcyclohexane;bromide
PubChem CID151699481
Molecular FormulaC9H17BrMg
Molecular Weight229.44 g/mol
Exact Mass228.04
IUPAC Namemagnesium;1,1,3-trimethylcyclohexane;bromide
SMILESC[C-]1CCCC(C)(C)C1.[Br-].[Mg+2]
InChIInChI=1S/C9H17.BrH.Mg/c1-8-5-4-6-9(2,3)7-8;;/h4-7H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyWFSVKYCICUZACG-UHFFFAOYSA-M
XLogP-0.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.44
LogP ≤ 5-0.20
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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Related Compounds

1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
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1,1-dimethylcyclopentane;zinc
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1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
lithium;magnesium;1,2,2,6-tetramethylpiperidin-6-ide;dichloride
CID 158604118
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
6,6-dimethyldispiro[4.1.47.35]tetradecane
CID 123325796
methylcyclobutane;tungsten
CID 59642958
1,1-dimethylcyclobutane;vanadium
CID 158712416

Frequently Asked Questions

What is the IUPAC name of magnesium;1,1,3-trimethylcyclohexane;bromide?
The IUPAC name of magnesium;1,1,3-trimethylcyclohexane;bromide (CID 151699481) is magnesium;1,1,3-trimethylcyclohexane;bromide.
What is the SMILES notation for magnesium;1,1,3-trimethylcyclohexane;bromide?
The canonical SMILES for magnesium;1,1,3-trimethylcyclohexane;bromide is C[C-]1CCCC(C)(C)C1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,1,3-trimethylcyclohexane;bromide?
The InChIKey is WFSVKYCICUZACG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17.BrH.Mg/c1-8-5-4-6-9(2,3)7-8;;/h4-7H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,1,3-trimethylcyclohexane;bromide?
magnesium;1,1,3-trimethylcyclohexane;bromide has a molecular weight of 229.44 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,1,3-trimethylcyclohexane;bromide is sourced from PubChem (CID 151699481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).