magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane

C19H41AlMgO2 — CID 88674742

IUPACmagnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)CC(C)C.O=C=O.[CH2-]C.[CH2-]CCC.[Mg+2]
InChIInChI=1S/4C4H9.C2H5.CO2.Al.Mg/c3*1-4(2)3;1-3-4-2;1-2;2-1-3;;/h3*4H,1H2,2-3H3;1,3-4H2,2H3;1H2,2H3;;;/q;;;2*-1;;;+2
InChIKeyITZIRDVDLRDFHK-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.95
Rot. Bonds7

About magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane

magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane (PubChem CID 88674742) has the molecular formula C19H41AlMgO2 and a molecular weight of 352.82 g/mol. Its IUPAC name is magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane.

Molecular Properties

Compound Namemagnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane
PubChem CID88674742
Molecular FormulaC19H41AlMgO2
Molecular Weight352.82 g/mol
Exact Mass352.28
IUPAC Namemagnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)CC(C)C.O=C=O.[CH2-]C.[CH2-]CCC.[Mg+2]
InChIInChI=1S/4C4H9.C2H5.CO2.Al.Mg/c3*1-4(2)3;1-3-4-2;1-2;2-1-3;;/h3*4H,1H2,2-3H3;1,3-4H2,2H3;1H2,2H3;;;/q;;;2*-1;;;+2
InChIKeyITZIRDVDLRDFHK-UHFFFAOYSA-N
XLogP5.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane with MolForge

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

Launch Full Analysis

Related Compounds

lithium;magnesium;butane
CID 24940261
magnesium;butane;carbanide
CID 59738430
butane;ethane;titanium(2+)
CID 154083235
magnesium;butane;chloride
CID 6101660
lithium butyl-bis(2-methylpropyl)alumane
CID 16714974
bromonickel;butane
CID 154443925
butane;chlorotitanium(3+)
CID 24940344
butane;iodonickel
CID 154314536
butane;ethane;bis(titanium(3+));hydrate
CID 88509097
butane;nickel
CID 57419181
butane;tris(rubidium(1+))
CID 59203345
butane;lithium(1-)
CID 154172744

Frequently Asked Questions

What is the IUPAC name of magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane?
The IUPAC name of magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane (CID 88674742) is magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane.
What is the SMILES notation for magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane?
The canonical SMILES for magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane is CC(C)C[Al](CC(C)C)CC(C)C.O=C=O.[CH2-]C.[CH2-]CCC.[Mg+2].
What is the InChIKey of magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane?
The InChIKey is ITZIRDVDLRDFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9.C2H5.CO2.Al.Mg/c3*1-4(2)3;1-3-4-2;1-2;2-1-3;;/h3*4H,1H2,2-3H3;1,3-4H2,2H3;1H2,2H3;;;/q;;;2*-1;;;+2.
What are the key properties of magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane?
magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane has a molecular weight of 352.82 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane is sourced from PubChem (CID 88674742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).