magnesium;ethynylcyclobutane;hydride;hydrobromide

C6H11BrMg — CID 173220731

IUPACmagnesium;ethynylcyclobutane;hydride;hydrobromide
SMILESBr.C#CC1CCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H8.BrH.Mg.2H/c1-2-6-4-3-5-6;;;;/h1,6H,3-5H2;1H;;;/q;;+2;2*-1
InChIKeyMRNOBPQLNLBTHY-UHFFFAOYSA-N
MW187.36 g/mol
LogP1.84
Rot. Bonds

About magnesium;ethynylcyclobutane;hydride;hydrobromide

magnesium;ethynylcyclobutane;hydride;hydrobromide (PubChem CID 173220731) has the molecular formula C6H11BrMg and a molecular weight of 187.36 g/mol. Its IUPAC name is magnesium;ethynylcyclobutane;hydride;hydrobromide.

Molecular Properties

Compound Namemagnesium;ethynylcyclobutane;hydride;hydrobromide
PubChem CID173220731
Molecular FormulaC6H11BrMg
Molecular Weight187.36 g/mol
Exact Mass185.99
IUPAC Namemagnesium;ethynylcyclobutane;hydride;hydrobromide
SMILESBr.C#CC1CCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H8.BrH.Mg.2H/c1-2-6-4-3-5-6;;;;/h1,6H,3-5H2;1H;;;/q;;+2;2*-1
InChIKeyMRNOBPQLNLBTHY-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;ethynylcyclobutane;hydride;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;ethynylcyclobutane;hydride;hydrobromide?
The IUPAC name of magnesium;ethynylcyclobutane;hydride;hydrobromide (CID 173220731) is magnesium;ethynylcyclobutane;hydride;hydrobromide.
What is the SMILES notation for magnesium;ethynylcyclobutane;hydride;hydrobromide?
The canonical SMILES for magnesium;ethynylcyclobutane;hydride;hydrobromide is Br.C#CC1CCC1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;ethynylcyclobutane;hydride;hydrobromide?
The InChIKey is MRNOBPQLNLBTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.BrH.Mg.2H/c1-2-6-4-3-5-6;;;;/h1,6H,3-5H2;1H;;;/q;;+2;2*-1.
What are the key properties of magnesium;ethynylcyclobutane;hydride;hydrobromide?
magnesium;ethynylcyclobutane;hydride;hydrobromide has a molecular weight of 187.36 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethynylcyclobutane;hydride;hydrobromide is sourced from PubChem (CID 173220731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).