potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

C14H33KO2S9 — CID 159178139

IUPACpotassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
SMILESC.CC(C)(C)[O-].CC=CC.CC=O.CCC.S=S=S=S.S=S=S=S=S.[K+]
InChIInChI=1S/C4H9O.C4H8.C3H8.C2H4O.CH4.K.S5.S4/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;;;1-3-5-4-2;1-3-4-2/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;1H4;;;/q-1;;;;;+1;;
InChIKeyKMNVAJNCNQOTBT-UHFFFAOYSA-N
MW561.12 g/mol
LogP0.97
Rot. Bonds

About potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (PubChem CID 159178139) has the molecular formula C14H33KO2S9 and a molecular weight of 561.12 g/mol. Its IUPAC name is potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

Molecular Properties

Compound Namepotassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
PubChem CID159178139
Molecular FormulaC14H33KO2S9
Molecular Weight561.12 g/mol
Exact Mass559.96
IUPAC Namepotassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
SMILESC.CC(C)(C)[O-].CC=CC.CC=O.CCC.S=S=S=S.S=S=S=S=S.[K+]
InChIInChI=1S/C4H9O.C4H8.C3H8.C2H4O.CH4.K.S5.S4/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;;;1-3-5-4-2;1-3-4-2/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;1H4;;;/q-1;;;;;+1;;
InChIKeyKMNVAJNCNQOTBT-UHFFFAOYSA-N
XLogP0.97
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.12
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?
The IUPAC name of potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (CID 159178139) is potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.
What is the SMILES notation for potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?
The canonical SMILES for potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is C.CC(C)(C)[O-].CC=CC.CC=O.CCC.S=S=S=S.S=S=S=S=S.[K+].
What is the InChIKey of potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?
The InChIKey is KMNVAJNCNQOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.C4H8.C3H8.C2H4O.CH4.K.S5.S4/c1-4(2,3)5;1-3-4-2;1-3-2;1-2-3;;;1-3-5-4-2;1-3-4-2/h1-3H3;3-4H,1-2H3;3H2,1-2H3;2H,1H3;1H4;;;/q-1;;;;;+1;;.
What are the key properties of potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?
potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane has a molecular weight of 561.12 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is sourced from PubChem (CID 159178139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).