bis(2-methylpropyl)alumanylium;hydride;methane

C9H23Al — CID 174805102

IUPACbis(2-methylpropyl)alumanylium;hydride;methane
SMILESC.CC(C)C[Al+]CC(C)C.[H-]
InChIInChI=1S/2C4H9.CH4.Al.H/c2*1-4(2)3;;;/h2*4H,1H2,2-3H3;1H4;;/q;;;+1;-1
InChIKeyYNXHQSXBVOHYCD-UHFFFAOYSA-N
MW158.27 g/mol
LogP3.59
Rot. Bonds4

About bis(2-methylpropyl)alumanylium;hydride;methane

bis(2-methylpropyl)alumanylium;hydride;methane (PubChem CID 174805102) has the molecular formula C9H23Al and a molecular weight of 158.27 g/mol. Its IUPAC name is bis(2-methylpropyl)alumanylium;hydride;methane.

Molecular Properties

Compound Namebis(2-methylpropyl)alumanylium;hydride;methane
PubChem CID174805102
Molecular FormulaC9H23Al
Molecular Weight158.27 g/mol
Exact Mass158.16
IUPAC Namebis(2-methylpropyl)alumanylium;hydride;methane
SMILESC.CC(C)C[Al+]CC(C)C.[H-]
InChIInChI=1S/2C4H9.CH4.Al.H/c2*1-4(2)3;;;/h2*4H,1H2,2-3H3;1H4;;/q;;;+1;-1
InChIKeyYNXHQSXBVOHYCD-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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hydride;methoxy(2-methylpropyl)alumanylium
CID 19977346
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CID 172999257
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CID 157285128
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CID 58100191
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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumanylium;hydride;methane?
The IUPAC name of bis(2-methylpropyl)alumanylium;hydride;methane (CID 174805102) is bis(2-methylpropyl)alumanylium;hydride;methane.
What is the SMILES notation for bis(2-methylpropyl)alumanylium;hydride;methane?
The canonical SMILES for bis(2-methylpropyl)alumanylium;hydride;methane is C.CC(C)C[Al+]CC(C)C.[H-].
What is the InChIKey of bis(2-methylpropyl)alumanylium;hydride;methane?
The InChIKey is YNXHQSXBVOHYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.CH4.Al.H/c2*1-4(2)3;;;/h2*4H,1H2,2-3H3;1H4;;/q;;;+1;-1.
What are the key properties of bis(2-methylpropyl)alumanylium;hydride;methane?
bis(2-methylpropyl)alumanylium;hydride;methane has a molecular weight of 158.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumanylium;hydride;methane is sourced from PubChem (CID 174805102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).