diethylalumane;propanal

C7H17AlO — CID 175128866

IUPACdiethylalumane;propanal
SMILESCCC=O.CC[AlH]CC
InChIInChI=1S/C3H6O.2C2H5.Al.H/c1-2-3-4;2*1-2;;/h3H,2H2,1H3;2*1H2,2H3;;
InChIKeyKTWLQBCRNVKDTF-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.89
Rot. Bonds3

About diethylalumane;propanal

diethylalumane;propanal (PubChem CID 175128866) has the molecular formula C7H17AlO and a molecular weight of 144.19 g/mol. Its IUPAC name is diethylalumane;propanal.

Molecular Properties

Compound Namediethylalumane;propanal
PubChem CID175128866
Molecular FormulaC7H17AlO
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Namediethylalumane;propanal
SMILESCCC=O.CC[AlH]CC
InChIInChI=1S/C3H6O.2C2H5.Al.H/c1-2-3-4;2*1-2;;/h3H,2H2,1H3;2*1H2,2H3;;
InChIKeyKTWLQBCRNVKDTF-UHFFFAOYSA-N
XLogP1.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of diethylalumane;propanal?
The IUPAC name of diethylalumane;propanal (CID 175128866) is diethylalumane;propanal.
What is the SMILES notation for diethylalumane;propanal?
The canonical SMILES for diethylalumane;propanal is CCC=O.CC[AlH]CC.
What is the InChIKey of diethylalumane;propanal?
The InChIKey is KTWLQBCRNVKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.2C2H5.Al.H/c1-2-3-4;2*1-2;;/h3H,2H2,1H3;2*1H2,2H3;;.
What are the key properties of diethylalumane;propanal?
diethylalumane;propanal has a molecular weight of 144.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylalumane;propanal is sourced from PubChem (CID 175128866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).