magnesium;1,4-dichlorobutane;hydride

C4H10Cl2Mg — CID 173184004

IUPACmagnesium;1,4-dichlorobutane;hydride
SMILESClCCCCCl.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8Cl2.Mg.2H/c5-3-1-2-4-6;;;/h1-4H2;;;/q;+2;2*-1
InChIKeyZNEZBHMNLIEALZ-UHFFFAOYSA-N
MW153.34 g/mol
LogP2.09
Rot. Bonds3

About magnesium;1,4-dichlorobutane;hydride

magnesium;1,4-dichlorobutane;hydride (PubChem CID 173184004) has the molecular formula C4H10Cl2Mg and a molecular weight of 153.34 g/mol. Its IUPAC name is magnesium;1,4-dichlorobutane;hydride.

Molecular Properties

Compound Namemagnesium;1,4-dichlorobutane;hydride
PubChem CID173184004
Molecular FormulaC4H10Cl2Mg
Molecular Weight153.34 g/mol
Exact Mass152.00
IUPAC Namemagnesium;1,4-dichlorobutane;hydride
SMILESClCCCCCl.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8Cl2.Mg.2H/c5-3-1-2-4-6;;;/h1-4H2;;;/q;+2;2*-1
InChIKeyZNEZBHMNLIEALZ-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,4-dichlorobutane;hydride?
The IUPAC name of magnesium;1,4-dichlorobutane;hydride (CID 173184004) is magnesium;1,4-dichlorobutane;hydride.
What is the SMILES notation for magnesium;1,4-dichlorobutane;hydride?
The canonical SMILES for magnesium;1,4-dichlorobutane;hydride is ClCCCCCl.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1,4-dichlorobutane;hydride?
The InChIKey is ZNEZBHMNLIEALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2.Mg.2H/c5-3-1-2-4-6;;;/h1-4H2;;;/q;+2;2*-1.
What are the key properties of magnesium;1,4-dichlorobutane;hydride?
magnesium;1,4-dichlorobutane;hydride has a molecular weight of 153.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,4-dichlorobutane;hydride is sourced from PubChem (CID 173184004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).