magnesium;butylbenzene;bromide

C10H13BrMg — CID 54724510

IUPACmagnesium;butylbenzene;bromide
SMILESCCCCc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C10H13.BrH.Mg/c1-2-3-7-10-8-5-4-6-9-10;;/h5-6,8-9H,2-3,7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyGMDVPPVFTDVJOF-UHFFFAOYSA-M
MW237.42 g/mol
LogP-0.55
Rot. Bonds3

About magnesium;butylbenzene;bromide

magnesium;butylbenzene;bromide (PubChem CID 54724510) has the molecular formula C10H13BrMg and a molecular weight of 237.42 g/mol. Its IUPAC name is magnesium;butylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;butylbenzene;bromide
PubChem CID54724510
Molecular FormulaC10H13BrMg
Molecular Weight237.42 g/mol
Exact Mass236.01
IUPAC Namemagnesium;butylbenzene;bromide
SMILESCCCCc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C10H13.BrH.Mg/c1-2-3-7-10-8-5-4-6-9-10;;/h5-6,8-9H,2-3,7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyGMDVPPVFTDVJOF-UHFFFAOYSA-M
XLogP-0.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 5-0.55
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

zinc hexylbenzene
CID 156642936
lithium dodecylbenzene
CID 134940671
nickel;nonylbenzene
CID 142762749
zinc;decylbenzene;chloride
CID 162030336
bromozinc(1+);1-heptyl-4-phenylbenzene
CID 146001623
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-nonylbenzene
CID 59545302
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
nickel;nonylbenzene;(4-nonylphenyl)phosphonic acid
CID 157108010
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011

Frequently Asked Questions

What is the IUPAC name of magnesium;butylbenzene;bromide?
The IUPAC name of magnesium;butylbenzene;bromide (CID 54724510) is magnesium;butylbenzene;bromide.
What is the SMILES notation for magnesium;butylbenzene;bromide?
The canonical SMILES for magnesium;butylbenzene;bromide is CCCCc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;butylbenzene;bromide?
The InChIKey is GMDVPPVFTDVJOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13.BrH.Mg/c1-2-3-7-10-8-5-4-6-9-10;;/h5-6,8-9H,2-3,7H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;butylbenzene;bromide?
magnesium;butylbenzene;bromide has a molecular weight of 237.42 g/mol, XLogP of -0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butylbenzene;bromide is sourced from PubChem (CID 54724510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).