magnesium;butylcyclohexane;bromide

C10H19BrMg — CID 15255726

IUPACmagnesium;butylcyclohexane;bromide
SMILESCCCCC1CC[CH-]CC1.[Br-].[Mg+2]
InChIInChI=1S/C10H19.BrH.Mg/c1-2-3-7-10-8-5-4-6-9-10;;/h4,10H,2-3,5-9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCFEMRIVCXTXXNC-UHFFFAOYSA-M
MW243.47 g/mol
LogP0.19
Rot. Bonds3

About magnesium;butylcyclohexane;bromide

magnesium;butylcyclohexane;bromide (PubChem CID 15255726) has the molecular formula C10H19BrMg and a molecular weight of 243.47 g/mol. Its IUPAC name is magnesium;butylcyclohexane;bromide.

Molecular Properties

Compound Namemagnesium;butylcyclohexane;bromide
PubChem CID15255726
Molecular FormulaC10H19BrMg
Molecular Weight243.47 g/mol
Exact Mass242.05
IUPAC Namemagnesium;butylcyclohexane;bromide
SMILESCCCCC1CC[CH-]CC1.[Br-].[Mg+2]
InChIInChI=1S/C10H19.BrH.Mg/c1-2-3-7-10-8-5-4-6-9-10;;/h4,10H,2-3,5-9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCFEMRIVCXTXXNC-UHFFFAOYSA-M
XLogP0.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.47
LogP ≤ 50.19
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

hexane;pentylcyclopropane
CID 159592467
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
2-(4-butylcyclohexyl)ethanol
CID 15085164
azane;hexylcyclopropane
CID 135322230
2-[(4-butylcyclohexyl)methyl]oxirane
CID 174838553
CID 171376493
CID 171376493
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992

Frequently Asked Questions

What is the IUPAC name of magnesium;butylcyclohexane;bromide?
The IUPAC name of magnesium;butylcyclohexane;bromide (CID 15255726) is magnesium;butylcyclohexane;bromide.
What is the SMILES notation for magnesium;butylcyclohexane;bromide?
The canonical SMILES for magnesium;butylcyclohexane;bromide is CCCCC1CC[CH-]CC1.[Br-].[Mg+2].
What is the InChIKey of magnesium;butylcyclohexane;bromide?
The InChIKey is CFEMRIVCXTXXNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19.BrH.Mg/c1-2-3-7-10-8-5-4-6-9-10;;/h4,10H,2-3,5-9H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;butylcyclohexane;bromide?
magnesium;butylcyclohexane;bromide has a molecular weight of 243.47 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butylcyclohexane;bromide is sourced from PubChem (CID 15255726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).