alumane;butanal

C4H14Al2O — CID 175259224

IUPACalumane;butanal
SMILESCCCC=O.[AlH3].[AlH3]
InChIInChI=1S/C4H8O.2Al.6H/c1-2-3-4-5;;;;;;;;/h4H,2-3H2,1H3;;;;;;;;
InChIKeyLVFZAPYSELMFGI-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.38
Rot. Bonds2

About alumane;butanal

alumane;butanal (PubChem CID 175259224) has the molecular formula C4H14Al2O and a molecular weight of 132.12 g/mol. Its IUPAC name is alumane;butanal.

Molecular Properties

Compound Namealumane;butanal
PubChem CID175259224
Molecular FormulaC4H14Al2O
Molecular Weight132.12 g/mol
Exact Mass132.07
IUPAC Namealumane;butanal
SMILESCCCC=O.[AlH3].[AlH3]
InChIInChI=1S/C4H8O.2Al.6H/c1-2-3-4-5;;;;;;;;/h4H,2-3H2,1H3;;;;;;;;
InChIKeyLVFZAPYSELMFGI-UHFFFAOYSA-N
XLogP-1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.38
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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CID 142417026
butanal;dihydrate
CID 144519369
lithium;butanal;hydride
CID 172997577
butanal;hydrate;hydrofluoride
CID 174309554
magnesium;butanal;hydride
CID 173011823
butanal;pentanedial
CID 87991120
butanal;carbon dioxide
CID 91446908
butanal;propanal;propane
CID 88619046
butanal;trichloroalumane
CID 174957619
butanal;N,N-dibutylbutan-1-amine
CID 174791584
neodymium;pentanal
CID 87838749
pentanal;stannane
CID 173131916

Frequently Asked Questions

What is the IUPAC name of alumane;butanal?
The IUPAC name of alumane;butanal (CID 175259224) is alumane;butanal.
What is the SMILES notation for alumane;butanal?
The canonical SMILES for alumane;butanal is CCCC=O.[AlH3].[AlH3].
What is the InChIKey of alumane;butanal?
The InChIKey is LVFZAPYSELMFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.2Al.6H/c1-2-3-4-5;;;;;;;;/h4H,2-3H2,1H3;;;;;;;;.
What are the key properties of alumane;butanal?
alumane;butanal has a molecular weight of 132.12 g/mol, XLogP of -1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;butanal is sourced from PubChem (CID 175259224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).