lithium;butanal;hydride

C4H9LiO — CID 172997577

IUPAClithium;butanal;hydride
SMILESCCCC=O.[H-].[Li+]
InChIInChI=1S/C4H8O.Li.H/c1-2-3-4-5;;/h4H,2-3H2,1H3;;/q;+1;-1
InChIKeyUAVYFPZYHUEMOB-UHFFFAOYSA-N
MW80.06 g/mol
LogP-1.90
Rot. Bonds2

About lithium;butanal;hydride

lithium;butanal;hydride (PubChem CID 172997577) has the molecular formula C4H9LiO and a molecular weight of 80.06 g/mol. Its IUPAC name is lithium;butanal;hydride.

Molecular Properties

Compound Namelithium;butanal;hydride
PubChem CID172997577
Molecular FormulaC4H9LiO
Molecular Weight80.06 g/mol
Exact Mass80.08
IUPAC Namelithium;butanal;hydride
SMILESCCCC=O.[H-].[Li+]
InChIInChI=1S/C4H8O.Li.H/c1-2-3-4-5;;/h4H,2-3H2,1H3;;/q;+1;-1
InChIKeyUAVYFPZYHUEMOB-UHFFFAOYSA-N
XLogP-1.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.06
LogP ≤ 5-1.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;butanal;hydride?
The IUPAC name of lithium;butanal;hydride (CID 172997577) is lithium;butanal;hydride.
What is the SMILES notation for lithium;butanal;hydride?
The canonical SMILES for lithium;butanal;hydride is CCCC=O.[H-].[Li+].
What is the InChIKey of lithium;butanal;hydride?
The InChIKey is UAVYFPZYHUEMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Li.H/c1-2-3-4-5;;/h4H,2-3H2,1H3;;/q;+1;-1.
What are the key properties of lithium;butanal;hydride?
lithium;butanal;hydride has a molecular weight of 80.06 g/mol, XLogP of -1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butanal;hydride is sourced from PubChem (CID 172997577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).