magnesium;ethylbenzene;propane;hydrobromide

C11H17BrMg — CID 88732321

IUPACmagnesium;ethylbenzene;propane;hydrobromide
SMILESBr.CCc1cc[c-]cc1.[CH2-]CC.[Mg+2]
InChIInChI=1S/C8H9.C3H7.BrH.Mg/c1-2-8-6-4-3-5-7-8;1-3-2;;/h4-7H,2H2,1H3;1,3H2,2H3;1H;/q2*-1;;+2
InChIKeyQVHJWQXIHNQGIR-UHFFFAOYSA-N
MW253.47 g/mol
LogP3.48
Rot. Bonds1

About magnesium;ethylbenzene;propane;hydrobromide

magnesium;ethylbenzene;propane;hydrobromide (PubChem CID 88732321) has the molecular formula C11H17BrMg and a molecular weight of 253.47 g/mol. Its IUPAC name is magnesium;ethylbenzene;propane;hydrobromide.

Molecular Properties

Compound Namemagnesium;ethylbenzene;propane;hydrobromide
PubChem CID88732321
Molecular FormulaC11H17BrMg
Molecular Weight253.47 g/mol
Exact Mass252.04
IUPAC Namemagnesium;ethylbenzene;propane;hydrobromide
SMILESBr.CCc1cc[c-]cc1.[CH2-]CC.[Mg+2]
InChIInChI=1S/C8H9.C3H7.BrH.Mg/c1-2-8-6-4-3-5-7-8;1-3-2;;/h4-7H,2H2,1H3;1,3H2,2H3;1H;/q2*-1;;+2
InChIKeyQVHJWQXIHNQGIR-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 53.48
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

ethylbenzene;yttrium
CID 59931165
bis(cyclopenta-1,3-diene);ethylbenzene;titanium(4+)
CID 141013113
(4-ethylphenyl)-phenylmethanone;uranium
CID 163515743
nickel;nonylbenzene
CID 142762749
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
magnesium;chlorobenzene;propane;hydrobromide
CID 88733619
1-ethyl-4-methanidylbenzene;zinc;hydrobromide
CID 87072748
CID 59129926
CID 59129926
magnesium;fluorobenzene;propane;hydrobromide
CID 88731859
1,4-diethylbenzene;ethane;methane
CID 166131756
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588

Frequently Asked Questions

What is the IUPAC name of magnesium;ethylbenzene;propane;hydrobromide?
The IUPAC name of magnesium;ethylbenzene;propane;hydrobromide (CID 88732321) is magnesium;ethylbenzene;propane;hydrobromide.
What is the SMILES notation for magnesium;ethylbenzene;propane;hydrobromide?
The canonical SMILES for magnesium;ethylbenzene;propane;hydrobromide is Br.CCc1cc[c-]cc1.[CH2-]CC.[Mg+2].
What is the InChIKey of magnesium;ethylbenzene;propane;hydrobromide?
The InChIKey is QVHJWQXIHNQGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C3H7.BrH.Mg/c1-2-8-6-4-3-5-7-8;1-3-2;;/h4-7H,2H2,1H3;1,3H2,2H3;1H;/q2*-1;;+2.
What are the key properties of magnesium;ethylbenzene;propane;hydrobromide?
magnesium;ethylbenzene;propane;hydrobromide has a molecular weight of 253.47 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethylbenzene;propane;hydrobromide is sourced from PubChem (CID 88732321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).