potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane

C15H37KO2 — CID 157313083

IUPACpotassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane
SMILESC.C.CC(C)(C)[O-].CC=CC.CC=O.CCC.[K+]
InChIInChI=1S/C4H9O.C4H8.C3H8.C2H4O.2CH4.K/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;;;/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;2*1H4;/q-1;;;;;;+1
InChIKeyBDGMRGAIOVUWLT-UHFFFAOYSA-N
MW288.56 g/mol
LogP1.63
Rot. Bonds

About potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane

potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane (PubChem CID 157313083) has the molecular formula C15H37KO2 and a molecular weight of 288.56 g/mol. Its IUPAC name is potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane.

Molecular Properties

Compound Namepotassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane
PubChem CID157313083
Molecular FormulaC15H37KO2
Molecular Weight288.56 g/mol
Exact Mass288.24
IUPAC Namepotassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane
SMILESC.C.CC(C)(C)[O-].CC=CC.CC=O.CCC.[K+]
InChIInChI=1S/C4H9O.C4H8.C3H8.C2H4O.2CH4.K/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;;;/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;2*1H4;/q-1;;;;;;+1
InChIKeyBDGMRGAIOVUWLT-UHFFFAOYSA-N
XLogP1.63
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 51.63
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;but-2-ene;methane;2-methylpropan-2-olate;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;but-2-ene;methane;2-methylpropan-2-olate;propane?
The IUPAC name of potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane (CID 157313083) is potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane.
What is the SMILES notation for potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane?
The canonical SMILES for potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane is C.C.CC(C)(C)[O-].CC=CC.CC=O.CCC.[K+].
What is the InChIKey of potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane?
The InChIKey is BDGMRGAIOVUWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.C4H8.C3H8.C2H4O.2CH4.K/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;;;/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;2*1H4;/q-1;;;;;;+1.
What are the key properties of potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane?
potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane has a molecular weight of 288.56 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane is sourced from PubChem (CID 157313083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).