potassium;hydride;3-methylbutanal

C5H11KO — CID 173363476

IUPACpotassium;hydride;3-methylbutanal
SMILESCC(C)CC=O.[H-].[K+]
InChIInChI=1S/C5H10O.K.H/c1-5(2)3-4-6;;/h4-5H,3H2,1-2H3;;/q;+1;-1
InChIKeyRKOZPAZCXKKQBQ-UHFFFAOYSA-N
MW126.24 g/mol
LogP-1.65
Rot. Bonds2

About potassium;hydride;3-methylbutanal

potassium;hydride;3-methylbutanal (PubChem CID 173363476) has the molecular formula C5H11KO and a molecular weight of 126.24 g/mol. Its IUPAC name is potassium;hydride;3-methylbutanal.

Molecular Properties

Compound Namepotassium;hydride;3-methylbutanal
PubChem CID173363476
Molecular FormulaC5H11KO
Molecular Weight126.24 g/mol
Exact Mass126.04
IUPAC Namepotassium;hydride;3-methylbutanal
SMILESCC(C)CC=O.[H-].[K+]
InChIInChI=1S/C5H10O.K.H/c1-5(2)3-4-6;;/h4-5H,3H2,1-2H3;;/q;+1;-1
InChIKeyRKOZPAZCXKKQBQ-UHFFFAOYSA-N
XLogP-1.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium;hydride;3-methylbutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-methylbutanal?
The IUPAC name of potassium;hydride;3-methylbutanal (CID 173363476) is potassium;hydride;3-methylbutanal.
What is the SMILES notation for potassium;hydride;3-methylbutanal?
The canonical SMILES for potassium;hydride;3-methylbutanal is CC(C)CC=O.[H-].[K+].
What is the InChIKey of potassium;hydride;3-methylbutanal?
The InChIKey is RKOZPAZCXKKQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.K.H/c1-5(2)3-4-6;;/h4-5H,3H2,1-2H3;;/q;+1;-1.
What are the key properties of potassium;hydride;3-methylbutanal?
potassium;hydride;3-methylbutanal has a molecular weight of 126.24 g/mol, XLogP of -1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;3-methylbutanal is sourced from PubChem (CID 173363476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).