magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride

C11H15ClMg — CID 173424213

IUPACmagnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride
SMILESCC(C)=CCc1ccc(Cl)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H13Cl.Mg.2H/c1-9(2)3-4-10-5-7-11(12)8-6-10;;;/h3,5-8H,4H2,1-2H3;;;/q;+2;2*-1
InChIKeyUVZDMAWRZLMRTD-UHFFFAOYSA-N
MW207.00 g/mol
LogP3.69
Rot. Bonds2

About magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride

magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride (PubChem CID 173424213) has the molecular formula C11H15ClMg and a molecular weight of 207.00 g/mol. Its IUPAC name is magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride.

Molecular Properties

Compound Namemagnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride
PubChem CID173424213
Molecular FormulaC11H15ClMg
Molecular Weight207.00 g/mol
Exact Mass206.07
IUPAC Namemagnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride
SMILESCC(C)=CCc1ccc(Cl)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H13Cl.Mg.2H/c1-9(2)3-4-10-5-7-11(12)8-6-10;;;/h3,5-8H,4H2,1-2H3;;;/q;+2;2*-1
InChIKeyUVZDMAWRZLMRTD-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride 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;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride?
The IUPAC name of magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride (CID 173424213) is magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride.
What is the SMILES notation for magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride?
The canonical SMILES for magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride is CC(C)=CCc1ccc(Cl)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride?
The InChIKey is UVZDMAWRZLMRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl.Mg.2H/c1-9(2)3-4-10-5-7-11(12)8-6-10;;;/h3,5-8H,4H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride?
magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride has a molecular weight of 207.00 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride is sourced from PubChem (CID 173424213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).