potassium;3-(oxidooxymethyl)octane;propane

C12H27KO2 — CID 153365242

IUPACpotassium;3-(oxidooxymethyl)octane;propane
SMILESCCC.CCCCCC(CC)CO[O-].[K+]
InChIInChI=1S/C9H20O2.C3H8.K/c1-3-5-6-7-9(4-2)8-11-10;1-3-2;/h9-10H,3-8H2,1-2H3;3H2,1-2H3;/q;;+1/p-1
InChIKeyILLAOXIPMHWBJZ-UHFFFAOYSA-M
MW242.44 g/mol
LogP0.31
Rot. Bonds7

About potassium;3-(oxidooxymethyl)octane;propane

potassium;3-(oxidooxymethyl)octane;propane (PubChem CID 153365242) has the molecular formula C12H27KO2 and a molecular weight of 242.44 g/mol. Its IUPAC name is potassium;3-(oxidooxymethyl)octane;propane.

Molecular Properties

Compound Namepotassium;3-(oxidooxymethyl)octane;propane
PubChem CID153365242
Molecular FormulaC12H27KO2
Molecular Weight242.44 g/mol
Exact Mass242.16
IUPAC Namepotassium;3-(oxidooxymethyl)octane;propane
SMILESCCC.CCCCCC(CC)CO[O-].[K+]
InChIInChI=1S/C9H20O2.C3H8.K/c1-3-5-6-7-9(4-2)8-11-10;1-3-2;/h9-10H,3-8H2,1-2H3;3H2,1-2H3;/q;;+1/p-1
InChIKeyILLAOXIPMHWBJZ-UHFFFAOYSA-M
XLogP0.31
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.44
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-ethyloctane;propane
CID 143682929
tris(2-ethylheptyl) borate
CID 89239583
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
ethane;3-ethylundecane
CID 144815521

Frequently Asked Questions

What is the IUPAC name of potassium;3-(oxidooxymethyl)octane;propane?
The IUPAC name of potassium;3-(oxidooxymethyl)octane;propane (CID 153365242) is potassium;3-(oxidooxymethyl)octane;propane.
What is the SMILES notation for potassium;3-(oxidooxymethyl)octane;propane?
The canonical SMILES for potassium;3-(oxidooxymethyl)octane;propane is CCC.CCCCCC(CC)CO[O-].[K+].
What is the InChIKey of potassium;3-(oxidooxymethyl)octane;propane?
The InChIKey is ILLAOXIPMHWBJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20O2.C3H8.K/c1-3-5-6-7-9(4-2)8-11-10;1-3-2;/h9-10H,3-8H2,1-2H3;3H2,1-2H3;/q;;+1/p-1.
What are the key properties of potassium;3-(oxidooxymethyl)octane;propane?
potassium;3-(oxidooxymethyl)octane;propane has a molecular weight of 242.44 g/mol, XLogP of 0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-(oxidooxymethyl)octane;propane is sourced from PubChem (CID 153365242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).