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

C15H35KO2 — CID 162133020

IUPACpotassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane
SMILESCC.CC(C)(C)[O-].CC=CC.CC=O.CCC.[K+]
InChIInChI=1S/C4H9O.C4H8.C3H8.C2H4O.C2H6.K/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;1-2;/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;1-2H3;/q-1;;;;;+1
InChIKeyZIXJOGPMTKOCCH-UHFFFAOYSA-N
MW286.54 g/mol
LogP1.38
Rot. Bonds

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

potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane (PubChem CID 162133020) has the molecular formula C15H35KO2 and a molecular weight of 286.54 g/mol. Its IUPAC name is potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane.

Molecular Properties

Compound Namepotassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane
PubChem CID162133020
Molecular FormulaC15H35KO2
Molecular Weight286.54 g/mol
Exact Mass286.23
IUPAC Namepotassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane
SMILESCC.CC(C)(C)[O-].CC=CC.CC=O.CCC.[K+]
InChIInChI=1S/C4H9O.C4H8.C3H8.C2H4O.C2H6.K/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;1-2;/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;1-2H3;/q-1;;;;;+1
InChIKeyZIXJOGPMTKOCCH-UHFFFAOYSA-N
XLogP1.38
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.54
LogP ≤ 51.38
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'}

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Related Compounds

Potassium;acetaldehyde;but-2-ene;methane;2-methylpropan-2-olate;propane
CID 157313083
Potassium;acetaldehyde;bis(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane;bis(but-2-ene);methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane
CID 157621984
Potassium;acetaldehyde;bis(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane;butane;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane
CID 158508908
Potassium;acetaldehyde;bis(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane;but-2-ene;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane
CID 158696883
Potassium;acetaldehyde;methane;2-methylpropan-2-olate;2-methylprop-1-ene;molecular hydrogen;propane
CID 158856006
Potassium;acetaldehyde;bis(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane;but-2-ene;ethane;ethene;2-methylpropan-2-olate;sulfanylidene-(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane
CID 158926013
Potassium;acetaldehyde;bis(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane;bis(but-2-ene);2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane
CID 159166344
Potassium;acetaldehyde;bis(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane
CID 159178139
Potassium;acetaldehyde;bis(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane;butane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfane
CID 161317837

Frequently Asked Questions

What is the IUPAC name of potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane?
The IUPAC name of potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane (CID 162133020) is potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane.
What is the SMILES notation for potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane?
The canonical SMILES for potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane is CC.CC(C)(C)[O-].CC=CC.CC=O.CCC.[K+].
What is the InChIKey of potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane?
The InChIKey is ZIXJOGPMTKOCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.C4H8.C3H8.C2H4O.C2H6.K/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;1-2;/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;1-2H3;/q-1;;;;;+1.
What are the key properties of potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane?
potassium;acetaldehyde;but-2-ene;ethane;2-methylpropan-2-olate;propane has a molecular weight of 286.54 g/mol, XLogP of 1.38, 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;ethane;2-methylpropan-2-olate;propane is sourced from PubChem (CID 162133020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).