magnesium;buta-1,3-diene;hydride

C4H8Mg — CID 173132435

IUPACmagnesium;buta-1,3-diene;hydride
SMILESC=CC=C.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H6.Mg.2H/c1-3-4-2;;;/h3-4H,1-2H2;;;/q;+2;2*-1
InChIKeyAWLRAVFYTUEUJE-UHFFFAOYSA-N
MW80.41 g/mol
LogP1.20
Rot. Bonds1

About magnesium;buta-1,3-diene;hydride

magnesium;buta-1,3-diene;hydride (PubChem CID 173132435) has the molecular formula C4H8Mg and a molecular weight of 80.41 g/mol. Its IUPAC name is magnesium;buta-1,3-diene;hydride.

Molecular Properties

Compound Namemagnesium;buta-1,3-diene;hydride
PubChem CID173132435
Molecular FormulaC4H8Mg
Molecular Weight80.41 g/mol
Exact Mass80.05
IUPAC Namemagnesium;buta-1,3-diene;hydride
SMILESC=CC=C.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H6.Mg.2H/c1-3-4-2;;;/h3-4H,1-2H2;;;/q;+2;2*-1
InChIKeyAWLRAVFYTUEUJE-UHFFFAOYSA-N
XLogP1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

magnesium buta-1,3-diene
CID 12825333
potassium;buta-1,3-diene;hydride
CID 173344451
buta-1,3-diene
CID 7845
lithium;buta-1,3-diene;hydride;titanium
CID 173312830
buta-1,3-diene;hydrochloride
CID 22994657
buta-1,3-diene;sulfanide
CID 19865721
buta-1,3-diene;niobium
CID 159648114
CID 158304462
CID 158304462
buta-1,3-diene;iron
CID 162166564
buta-1,3-diene;zirconium
CID 173105589
buta-1,3-diene;hydrazine
CID 159339609
buta-1,3-diene;molecular oxygen
CID 141321384

Frequently Asked Questions

What is the IUPAC name of magnesium;buta-1,3-diene;hydride?
The IUPAC name of magnesium;buta-1,3-diene;hydride (CID 173132435) is magnesium;buta-1,3-diene;hydride.
What is the SMILES notation for magnesium;buta-1,3-diene;hydride?
The canonical SMILES for magnesium;buta-1,3-diene;hydride is C=CC=C.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;buta-1,3-diene;hydride?
The InChIKey is AWLRAVFYTUEUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.Mg.2H/c1-3-4-2;;;/h3-4H,1-2H2;;;/q;+2;2*-1.
What are the key properties of magnesium;buta-1,3-diene;hydride?
magnesium;buta-1,3-diene;hydride has a molecular weight of 80.41 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;buta-1,3-diene;hydride is sourced from PubChem (CID 173132435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).