alumane;2,2-dimethylpropanal

C5H13AlO — CID 173462477

IUPACalumane;2,2-dimethylpropanal
SMILESCC(C)(C)C=O.[AlH3]
InChIInChI=1S/C5H10O.Al.3H/c1-5(2,3)4-6;;;;/h4H,1-3H3;;;;
InChIKeyLOMRQBQOKAJXFF-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.05
Rot. Bonds

About alumane;2,2-dimethylpropanal

alumane;2,2-dimethylpropanal (PubChem CID 173462477) has the molecular formula C5H13AlO and a molecular weight of 116.14 g/mol. Its IUPAC name is alumane;2,2-dimethylpropanal.

Molecular Properties

Compound Namealumane;2,2-dimethylpropanal
PubChem CID173462477
Molecular FormulaC5H13AlO
Molecular Weight116.14 g/mol
Exact Mass116.08
IUPAC Namealumane;2,2-dimethylpropanal
SMILESCC(C)(C)C=O.[AlH3]
InChIInChI=1S/C5H10O.Al.3H/c1-5(2,3)4-6;;;;/h4H,1-3H3;;;;
InChIKeyLOMRQBQOKAJXFF-UHFFFAOYSA-N
XLogP0.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine
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(2R)-2-amino-2,3,3-trimethylbutanal
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Frequently Asked Questions

What is the IUPAC name of alumane;2,2-dimethylpropanal?
The IUPAC name of alumane;2,2-dimethylpropanal (CID 173462477) is alumane;2,2-dimethylpropanal.
What is the SMILES notation for alumane;2,2-dimethylpropanal?
The canonical SMILES for alumane;2,2-dimethylpropanal is CC(C)(C)C=O.[AlH3].
What is the InChIKey of alumane;2,2-dimethylpropanal?
The InChIKey is LOMRQBQOKAJXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.Al.3H/c1-5(2,3)4-6;;;;/h4H,1-3H3;;;;.
What are the key properties of alumane;2,2-dimethylpropanal?
alumane;2,2-dimethylpropanal has a molecular weight of 116.14 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,2-dimethylpropanal is sourced from PubChem (CID 173462477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).