ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)

C13H21Rb — CID 156728674

IUPACethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)
SMILESCC.Cc1[c-]c(C)c(C)c(C)c1C.[Rb+]
InChIInChI=1S/C11H15.C2H6.Rb/c1-7-6-8(2)10(4)11(5)9(7)3;1-2;/h1-5H3;1-2H3;/q-1;;+1
InChIKeyCKTWHYIFNFQQPZ-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.06
Rot. Bonds

About ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)

ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+) (PubChem CID 156728674) has the molecular formula C13H21Rb and a molecular weight of 262.78 g/mol. Its IUPAC name is ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+).

Molecular Properties

Compound Nameethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)
PubChem CID156728674
Molecular FormulaC13H21Rb
Molecular Weight262.78 g/mol
Exact Mass262.08
IUPAC Nameethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)
SMILESCC.Cc1[c-]c(C)c(C)c(C)c1C.[Rb+]
InChIInChI=1S/C11H15.C2H6.Rb/c1-7-6-8(2)10(4)11(5)9(7)3;1-2;/h1-5H3;1-2H3;/q-1;;+1
InChIKeyCKTWHYIFNFQQPZ-UHFFFAOYSA-N
XLogP1.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)?
The IUPAC name of ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+) (CID 156728674) is ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+).
What is the SMILES notation for ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)?
The canonical SMILES for ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+) is CC.Cc1[c-]c(C)c(C)c(C)c1C.[Rb+].
What is the InChIKey of ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)?
The InChIKey is CKTWHYIFNFQQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.C2H6.Rb/c1-7-6-8(2)10(4)11(5)9(7)3;1-2;/h1-5H3;1-2H3;/q-1;;+1.
What are the key properties of ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+)?
ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+) has a molecular weight of 262.78 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4,5-pentamethylbenzene-6-ide;rubidium(1+) is sourced from PubChem (CID 156728674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).