hydride;pentan-3-ylaluminum(2+)

C5H13Al — CID 175014050

IUPAChydride;pentan-3-ylaluminum(2+)
SMILESCCC([Al+2])CC.[H-].[H-]
InChIInChI=1S/C5H11.Al.2H/c1-3-5-4-2;;;/h5H,3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyINKJCUAZZMJSEO-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.99
Rot. Bonds2

About hydride;pentan-3-ylaluminum(2+)

hydride;pentan-3-ylaluminum(2+) (PubChem CID 175014050) has the molecular formula C5H13Al and a molecular weight of 100.14 g/mol. Its IUPAC name is hydride;pentan-3-ylaluminum(2+).

Molecular Properties

Compound Namehydride;pentan-3-ylaluminum(2+)
PubChem CID175014050
Molecular FormulaC5H13Al
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Namehydride;pentan-3-ylaluminum(2+)
SMILESCCC([Al+2])CC.[H-].[H-]
InChIInChI=1S/C5H11.Al.2H/c1-3-5-4-2;;;/h5H,3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyINKJCUAZZMJSEO-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentan-3-ylaluminum(2+) diiodide
CID 88842100
butan-2-ylaluminum(2+) dichloride
CID 18763964
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
1,1-diethoxyethane
CID 7765
2-methylbutane;yttrium
CID 157105537
3,4-diethylhexane;ethane
CID 178112158
2-methylbutane;nickel
CID 159021520
copper tetraethylphosphanium
CID 162135788
1-chloro-1-(1-chloropropoxy)propane
CID 20501667
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471

Frequently Asked Questions

What is the IUPAC name of hydride;pentan-3-ylaluminum(2+)?
The IUPAC name of hydride;pentan-3-ylaluminum(2+) (CID 175014050) is hydride;pentan-3-ylaluminum(2+).
What is the SMILES notation for hydride;pentan-3-ylaluminum(2+)?
The canonical SMILES for hydride;pentan-3-ylaluminum(2+) is CCC([Al+2])CC.[H-].[H-].
What is the InChIKey of hydride;pentan-3-ylaluminum(2+)?
The InChIKey is INKJCUAZZMJSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.Al.2H/c1-3-5-4-2;;;/h5H,3-4H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of hydride;pentan-3-ylaluminum(2+)?
hydride;pentan-3-ylaluminum(2+) has a molecular weight of 100.14 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;pentan-3-ylaluminum(2+) is sourced from PubChem (CID 175014050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).