bis(2-methylpropyl)alumanylium;propan-2-olate

C11H25AlO — CID 18622245

IUPACbis(2-methylpropyl)alumanylium;propan-2-olate
SMILESCC(C)C[Al+]CC(C)C.CC(C)[O-]
InChIInChI=1S/2C4H9.C3H7O.Al/c2*1-4(2)3;1-3(2)4;/h2*4H,1H2,2-3H3;3H,1-2H3;/q;;-1;+1
InChIKeyYFNGCPVGPCKWAL-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.59
Rot. Bonds4

About bis(2-methylpropyl)alumanylium;propan-2-olate

bis(2-methylpropyl)alumanylium;propan-2-olate (PubChem CID 18622245) has the molecular formula C11H25AlO and a molecular weight of 200.30 g/mol. Its IUPAC name is bis(2-methylpropyl)alumanylium;propan-2-olate.

Molecular Properties

Compound Namebis(2-methylpropyl)alumanylium;propan-2-olate
PubChem CID18622245
Molecular FormulaC11H25AlO
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Namebis(2-methylpropyl)alumanylium;propan-2-olate
SMILESCC(C)C[Al+]CC(C)C.CC(C)[O-]
InChIInChI=1S/2C4H9.C3H7O.Al/c2*1-4(2)3;1-3(2)4;/h2*4H,1H2,2-3H3;3H,1-2H3;/q;;-1;+1
InChIKeyYFNGCPVGPCKWAL-UHFFFAOYSA-N
XLogP2.59
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-methylpropyl)alumanylium;hydride;methane
CID 174805102
bis(2-methylpropyl)alumanylium;dichloromethane;hydride
CID 86656508
bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate
CID 159316887
bis(2-methylpropyl)alumanylium;heptane;hydride
CID 173374934
magnesium;diethylalumanylium;tris(propan-2-olate)
CID 18786649
erbium(3+);tris(propan-2-olate)
CID 2734042
pentakis(propan-2-olate);tungsten
CID 173344200
bis(propan-2-olate);samarium
CID 162338231
hafnium(4+);bis(propan-2-olate)
CID 22242333
hafnium;bis(propan-2-olate)
CID 157404523
manganese(3+);tris(propan-2-olate)
CID 91971223
molybdenum;hexakis(propan-2-olate)
CID 138991740

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumanylium;propan-2-olate?
The IUPAC name of bis(2-methylpropyl)alumanylium;propan-2-olate (CID 18622245) is bis(2-methylpropyl)alumanylium;propan-2-olate.
What is the SMILES notation for bis(2-methylpropyl)alumanylium;propan-2-olate?
The canonical SMILES for bis(2-methylpropyl)alumanylium;propan-2-olate is CC(C)C[Al+]CC(C)C.CC(C)[O-].
What is the InChIKey of bis(2-methylpropyl)alumanylium;propan-2-olate?
The InChIKey is YFNGCPVGPCKWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.C3H7O.Al/c2*1-4(2)3;1-3(2)4;/h2*4H,1H2,2-3H3;3H,1-2H3;/q;;-1;+1.
What are the key properties of bis(2-methylpropyl)alumanylium;propan-2-olate?
bis(2-methylpropyl)alumanylium;propan-2-olate has a molecular weight of 200.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumanylium;propan-2-olate is sourced from PubChem (CID 18622245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).