potassium;butane;hydrate

C4H11KO — CID 172820423

IUPACpotassium;butane;hydrate
SMILESC[CH-]CC.O.[K+]
InChIInChI=1S/C4H9.K.H2O/c1-3-4-2;;/h3H,4H2,1-2H3;;1H2/q-1;+1;
InChIKeyRNHXMNFQAKZMOK-UHFFFAOYSA-N
MW114.23 g/mol
LogP-2.20
Rot. Bonds1

About potassium;butane;hydrate

potassium;butane;hydrate (PubChem CID 172820423) has the molecular formula C4H11KO and a molecular weight of 114.23 g/mol. Its IUPAC name is potassium;butane;hydrate.

Molecular Properties

Compound Namepotassium;butane;hydrate
PubChem CID172820423
Molecular FormulaC4H11KO
Molecular Weight114.23 g/mol
Exact Mass114.04
IUPAC Namepotassium;butane;hydrate
SMILESC[CH-]CC.O.[K+]
InChIInChI=1S/C4H9.K.H2O/c1-3-4-2;;/h3H,4H2,1-2H3;;1H2/q-1;+1;
InChIKeyRNHXMNFQAKZMOK-UHFFFAOYSA-N
XLogP-2.20
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze potassium;butane;hydrate with MolForge

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

Launch Full Analysis

Related Compounds

butane;copper(1+)
CID 12885279
azanide;butane;titanium(2+)
CID 174478901
CID 161142397
CID 161142397
butane;methane;tungsten
CID 157200339
butane;carbanide;yttrium(3+)
CID 20617495
lithium;magnesium;butane;dichloride
CID 71310571
butane;fluorogold
CID 152637603
butane;carbanide;methane;yttrium
CID 157177744
butane;carbanide;ethane;tungsten;bis(tungsten(2+))
CID 162247948
butane;carbanide;ethane;methane;hexakis(yttrium)
CID 161064104
acetic acid;butane;bis(propan-2-ol);rhenium
CID 161496195
lithium;sodium;butane;hydride;propanedioic acid
CID 174968637

Frequently Asked Questions

What is the IUPAC name of potassium;butane;hydrate?
The IUPAC name of potassium;butane;hydrate (CID 172820423) is potassium;butane;hydrate.
What is the SMILES notation for potassium;butane;hydrate?
The canonical SMILES for potassium;butane;hydrate is C[CH-]CC.O.[K+].
What is the InChIKey of potassium;butane;hydrate?
The InChIKey is RNHXMNFQAKZMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.K.H2O/c1-3-4-2;;/h3H,4H2,1-2H3;;1H2/q-1;+1;.
What are the key properties of potassium;butane;hydrate?
potassium;butane;hydrate has a molecular weight of 114.23 g/mol, XLogP of -2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butane;hydrate is sourced from PubChem (CID 172820423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).