potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide

C65H158B2F2KNaO17S — CID 159441590

IUPACpotassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide
SMILESC#CC.C#CC(C)(C)O.CB(O)O.CB(O)O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC#CC.CC(=O)O.CC(C)(C)[O-].CC=CC.CC=CC.CC=O.CCC.CCCC.CO.COC(C)(F)F.COC(C)=O.COC(C)=S.OO.[K+].[Na+].[OH-]
InChIInChI=1S/C5H8O.C4H9O.C4H10.2C4H8.C4H6.C3H6F2O.C3H6O2.C3H6OS.C3H8.C3H4.C2H4O2.C2H4O.9C2H6.2CH5BO2.CH4O.K.Na.H2O2.H2O/c1-4-5(2,3)6;1-4(2,3)5;4*1-3-4-2;1-3(4,5)6-2;1-3(4)5-2;1-3(5)4-2;2*1-3-2;1-2(3)4;1-2-3;9*1-2;2*1-2(3)4;1-2;;;1-2;/h1,6H,2-3H3;1-3H3;3-4H2,1-2H3;2*3-4H,1-2H3;1-2H3;1-2H3;2*1-2H3;3H2,1-2H3;1H,2H3;1H3,(H,3,4);2H,1H3;9*1-2H3;2*3-4H,1H3;2H,1H3;;;1-2H;1H2/q;-1;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;/p-1
InChIKeyHITNLMPOWGDJSF-UHFFFAOYSA-M
MW1365.74 g/mol
LogP12.16
Rot. Bonds2

About potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide

potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide (PubChem CID 159441590) has the molecular formula C65H158B2F2KNaO17S and a molecular weight of 1365.74 g/mol. Its IUPAC name is potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide.

Molecular Properties

Compound Namepotassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide
PubChem CID159441590
Molecular FormulaC65H158B2F2KNaO17S
Molecular Weight1365.74 g/mol
Exact Mass1365.09
IUPAC Namepotassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide
SMILESC#CC.C#CC(C)(C)O.CB(O)O.CB(O)O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC#CC.CC(=O)O.CC(C)(C)[O-].CC=CC.CC=CC.CC=O.CCC.CCCC.CO.COC(C)(F)F.COC(C)=O.COC(C)=S.OO.[K+].[Na+].[OH-]
InChIInChI=1S/C5H8O.C4H9O.C4H10.2C4H8.C4H6.C3H6F2O.C3H6O2.C3H6OS.C3H8.C3H4.C2H4O2.C2H4O.9C2H6.2CH5BO2.CH4O.K.Na.H2O2.H2O/c1-4-5(2,3)6;1-4(2,3)5;4*1-3-4-2;1-3(4,5)6-2;1-3(4)5-2;1-3(5)4-2;2*1-3-2;1-2(3)4;1-2-3;9*1-2;2*1-2(3)4;1-2;;;1-2;/h1,6H,2-3H3;1-3H3;3-4H2,1-2H3;2*3-4H,1-2H3;1-2H3;1-2H3;2*1-2H3;3H2,1-2H3;1H,2H3;1H3,(H,3,4);2H,1H3;9*1-2H3;2*3-4H,1H3;2H,1H3;;;1-2H;1H2/q;-1;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;/p-1
InChIKeyHITNLMPOWGDJSF-UHFFFAOYSA-M
XLogP12.16
TPSA314.03 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds2
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001365.74
LogP ≤ 512.16
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide with MolForge

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Related Compounds

acetic acid;1,1-difluoro-1-methoxyethane;ethane;methanol;methyl acetate;methylboronic acid;O-methyl ethanethioate
CID 158722861
dipotassium;sodium;acetic acid;bromoethane;but-2-yne;ethane;hydride;methanol;methoxyethane;methyl acetate;2-methylbut-3-yn-2-ol;oxido formate;prop-1-yne;hydroxide
CID 159749469
sodium;acetaldehyde;acetic acid;but-2-yne;2,2-difluoropropane;ethene;methane;2-methylbut-3-yn-2-ol;bis(pentane);propane;propane-2-thione;bis(propan-2-one);prop-1-yne;hydroxide
CID 157427839
CID 160794059
CID 160794059
CID 159376768
CID 159376768
potassium;acetaldehyde;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;butane;but-2-ene;methane;2-methylpropan-2-olate;propane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
CID 161317837
acetaldehyde;methane;methyl acetate
CID 157361598
CID 164988510
CID 164988510
acetaldehyde;acetamide;acetic acid;bromomethane;butane;chloromethane;N,N-dimethylethanamine;2,2-dimethylpropane;ethane;ethanol;fluoromethane;iodomethane;methane;methyl acetate;methylcyclopropane;2-methylpropane;nitromethane;pentane;propane;1,1,1-trifluoroethane
CID 158743600
acetic acid;2-methoxypentan-2-ol
CID 130404021
benzene;methoxymethane;methyl acetate;propane
CID 158395131
acetaldehyde;acetic acid;ethyl acetate
CID 158728597

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide?
The IUPAC name of potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide (CID 159441590) is potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide.
What is the SMILES notation for potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide?
The canonical SMILES for potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide is C#CC.C#CC(C)(C)O.CB(O)O.CB(O)O.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC#CC.CC(=O)O.CC(C)(C)[O-].CC=CC.CC=CC.CC=O.CCC.CCCC.CO.COC(C)(F)F.COC(C)=O.COC(C)=S.OO.[K+].[Na+].[OH-].
What is the InChIKey of potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide?
The InChIKey is HITNLMPOWGDJSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O.C4H9O.C4H10.2C4H8.C4H6.C3H6F2O.C3H6O2.C3H6OS.C3H8.C3H4.C2H4O2.C2H4O.9C2H6.2CH5BO2.CH4O.K.Na.H2O2.H2O/c1-4-5(2,3)6;1-4(2,3)5;4*1-3-4-2;1-3(4,5)6-2;1-3(4)5-2;1-3(5)4-2;2*1-3-2;1-2(3)4;1-2-3;9*1-2;2*1-2(3)4;1-2;;;1-2;/h1,6H,2-3H3;1-3H3;3-4H2,1-2H3;2*3-4H,1-2H3;1-2H3;1-2H3;2*1-2H3;3H2,1-2H3;1H,2H3;1H3,(H,3,4);2H,1H3;9*1-2H3;2*3-4H,1H3;2H,1H3;;;1-2H;1H2/q;-1;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;/p-1.
What are the key properties of potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide?
potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide has a molecular weight of 1365.74 g/mol, XLogP of 12.16, 2 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;acetaldehyde;acetic acid;butane;bis(but-2-ene);but-2-yne;1,1-difluoro-1-methoxyethane;ethane;hydrogen peroxide;methanol;methyl acetate;methylboronic acid;2-methylbut-3-yn-2-ol;O-methyl ethanethioate;2-methylpropan-2-olate;propane;prop-1-yne;hydroxide is sourced from PubChem (CID 159441590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).