potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane

C20H59KO2 — CID 158856006

IUPACpotassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane
SMILESC.C.C.C.C.C.C.C=C(C)C.CC(C)(C)[O-].CC=O.CCC.[H][H].[K+]
InChIInChI=1S/C4H9O.C4H8.C3H8.C2H4O.7CH4.K.H2/c1-4(2,3)5;1-4(2)3;1-3-2;1-2-3;;;;;;;;;/h1-3H3;1H2,2-3H3;3H2,1-2H3;2H,1H3;7*1H4;;1H/q-1;;;;;;;;;;;+1;
InChIKeyJABDAJNGERNTFP-UHFFFAOYSA-N
MW370.79 g/mol
LogP5.05
Rot. Bonds

About potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane

potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane (PubChem CID 158856006) has the molecular formula C20H59KO2 and a molecular weight of 370.79 g/mol. Its IUPAC name is potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane.

Molecular Properties

Compound Namepotassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane
PubChem CID158856006
Molecular FormulaC20H59KO2
Molecular Weight370.79 g/mol
Exact Mass370.42
IUPAC Namepotassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane
SMILESC.C.C.C.C.C.C.C=C(C)C.CC(C)(C)[O-].CC=O.CCC.[H][H].[K+]
InChIInChI=1S/C4H9O.C4H8.C3H8.C2H4O.7CH4.K.H2/c1-4(2,3)5;1-4(2)3;1-3-2;1-2-3;;;;;;;;;/h1-3H3;1H2,2-3H3;3H2,1-2H3;2H,1H3;7*1H4;;1H/q-1;;;;;;;;;;;+1;
InChIKeyJABDAJNGERNTFP-UHFFFAOYSA-N
XLogP5.05
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.79
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane 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;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane?
The IUPAC name of potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane (CID 158856006) is potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane.
What is the SMILES notation for potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane?
The canonical SMILES for potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane is C.C.C.C.C.C.C.C=C(C)C.CC(C)(C)[O-].CC=O.CCC.[H][H].[K+].
What is the InChIKey of potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane?
The InChIKey is JABDAJNGERNTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.C4H8.C3H8.C2H4O.7CH4.K.H2/c1-4(2,3)5;1-4(2)3;1-3-2;1-2-3;;;;;;;;;/h1-3H3;1H2,2-3H3;3H2,1-2H3;2H,1H3;7*1H4;;1H/q-1;;;;;;;;;;;+1;.
What are the key properties of potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane?
potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane has a molecular weight of 370.79 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane is sourced from PubChem (CID 158856006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).