lithium;magnesium;butane;dichloride

C4H9Cl2LiMg — CID 71310571

IUPAClithium;magnesium;butane;dichloride
SMILESC[CH-]CC.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C4H9.2ClH.Li.Mg/c1-3-4-2;;;;/h3H,4H2,1-2H3;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyYMUBDNJWWYNAOA-UHFFFAOYSA-L
MW159.27 g/mol
LogP-7.75
Rot. Bonds1

About lithium;magnesium;butane;dichloride

lithium;magnesium;butane;dichloride (PubChem CID 71310571) has the molecular formula C4H9Cl2LiMg and a molecular weight of 159.27 g/mol. Its IUPAC name is lithium;magnesium;butane;dichloride.

Molecular Properties

Compound Namelithium;magnesium;butane;dichloride
PubChem CID71310571
Molecular FormulaC4H9Cl2LiMg
Molecular Weight159.27 g/mol
Exact Mass158.01
IUPAC Namelithium;magnesium;butane;dichloride
SMILESC[CH-]CC.[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C4H9.2ClH.Li.Mg/c1-3-4-2;;;;/h3H,4H2,1-2H3;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyYMUBDNJWWYNAOA-UHFFFAOYSA-L
XLogP-7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 5-7.75
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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Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;butane;dichloride?
The IUPAC name of lithium;magnesium;butane;dichloride (CID 71310571) is lithium;magnesium;butane;dichloride.
What is the SMILES notation for lithium;magnesium;butane;dichloride?
The canonical SMILES for lithium;magnesium;butane;dichloride is C[CH-]CC.[Cl-].[Cl-].[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;butane;dichloride?
The InChIKey is YMUBDNJWWYNAOA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9.2ClH.Li.Mg/c1-3-4-2;;;;/h3H,4H2,1-2H3;2*1H;;/q-1;;;+1;+2/p-2.
What are the key properties of lithium;magnesium;butane;dichloride?
lithium;magnesium;butane;dichloride has a molecular weight of 159.27 g/mol, XLogP of -7.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;butane;dichloride is sourced from PubChem (CID 71310571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).