potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide

C28H43KO2S — CID 161475446

IUPACpotassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide
SMILESC.C.C=Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1CCO.S.[K+].[OH-]
InChIInChI=1S/C9H12O.C9H10.C8H10.2CH4.K.H2O.H2S/c1-8-4-2-3-5-9(8)6-7-10;1-3-9-7-5-4-6-8(9)2;1-7-5-3-4-6-8(7)2;;;;;/h2-5,10H,6-7H2,1H3;3-7H,1H2,2H3;3-6H,1-2H3;2*1H4;;2*1H2/q;;;;;+1;;/p-1
InChIKeyWDQMKBBCECGKEC-UHFFFAOYSA-M
MW482.82 g/mol
LogP4.68
Rot. Bonds3

About potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide

potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide (PubChem CID 161475446) has the molecular formula C28H43KO2S and a molecular weight of 482.82 g/mol. Its IUPAC name is potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide.

Molecular Properties

Compound Namepotassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide
PubChem CID161475446
Molecular FormulaC28H43KO2S
Molecular Weight482.82 g/mol
Exact Mass482.26
IUPAC Namepotassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide
SMILESC.C.C=Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1CCO.S.[K+].[OH-]
InChIInChI=1S/C9H12O.C9H10.C8H10.2CH4.K.H2O.H2S/c1-8-4-2-3-5-9(8)6-7-10;1-3-9-7-5-4-6-8(9)2;1-7-5-3-4-6-8(7)2;;;;;/h2-5,10H,6-7H2,1H3;3-7H,1H2,2H3;3-6H,1-2H3;2*1H4;;2*1H2/q;;;;;+1;;/p-1
InChIKeyWDQMKBBCECGKEC-UHFFFAOYSA-M
XLogP4.68
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide?
The IUPAC name of potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide (CID 161475446) is potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide.
What is the SMILES notation for potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide?
The canonical SMILES for potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide is C.C.C=Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1CCO.S.[K+].[OH-].
What is the InChIKey of potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide?
The InChIKey is WDQMKBBCECGKEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12O.C9H10.C8H10.2CH4.K.H2O.H2S/c1-8-4-2-3-5-9(8)6-7-10;1-3-9-7-5-4-6-8(9)2;1-7-5-3-4-6-8(7)2;;;;;/h2-5,10H,6-7H2,1H3;3-7H,1H2,2H3;3-6H,1-2H3;2*1H4;;2*1H2/q;;;;;+1;;/p-1.
What are the key properties of potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide?
potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide has a molecular weight of 482.82 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-ethenyl-2-methylbenzene;methane;2-(2-methylphenyl)ethanol;sulfane;1,2-xylene;hydroxide is sourced from PubChem (CID 161475446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).