2-methylpentane;rubidium(1+)

C6H13Rb — CID 163579122

IUPAC2-methylpentane;rubidium(1+)
SMILES[CH2-]CCC(C)C.[Rb+]
InChIInChI=1S/C6H13.Rb/c1-4-5-6(2)3;/h6H,1,4-5H2,2-3H3;/q-1;+1
InChIKeyJOGJSCXGHTVNHV-UHFFFAOYSA-N
MW170.64 g/mol
LogP-0.74
Rot. Bonds2

About 2-methylpentane;rubidium(1+)

2-methylpentane;rubidium(1+) (PubChem CID 163579122) has the molecular formula C6H13Rb and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-methylpentane;rubidium(1+).

Molecular Properties

Compound Name2-methylpentane;rubidium(1+)
PubChem CID163579122
Molecular FormulaC6H13Rb
Molecular Weight170.64 g/mol
Exact Mass170.01
IUPAC Name2-methylpentane;rubidium(1+)
SMILES[CH2-]CCC(C)C.[Rb+]
InChIInChI=1S/C6H13.Rb/c1-4-5-6(2)3;/h6H,1,4-5H2,2-3H3;/q-1;+1
InChIKeyJOGJSCXGHTVNHV-UHFFFAOYSA-N
XLogP-0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methylpentane;rubidium(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc bis(2-methylpentane)
CID 11481754
tris(2-methylpentane);zirconium(3+);hydrate
CID 164789251
2-methylpentane;zirconium(4+);trihydroxide
CID 172719510
bis(2-methylpentane);titanium(2+);hydrate
CID 175523357
ethane;lanthanum;2-methylpentane
CID 154248830
tetrakis(2-methylhexane);titanium(4+)
CID 164789244
cobalt;2-methylheptane
CID 170567086
tris(2-methylheptadecane);titanium(3+)
CID 23174974
magnesium;2-methylheptane;propane
CID 140617225
2-methylnonane;titanium;hydrate
CID 174186153
2-methyloctane;titanium(4+);trihydroxide
CID 174186181
2,5-dimethylheptane
CID 90756934

Frequently Asked Questions

What is the IUPAC name of 2-methylpentane;rubidium(1+)?
The IUPAC name of 2-methylpentane;rubidium(1+) (CID 163579122) is 2-methylpentane;rubidium(1+).
What is the SMILES notation for 2-methylpentane;rubidium(1+)?
The canonical SMILES for 2-methylpentane;rubidium(1+) is [CH2-]CCC(C)C.[Rb+].
What is the InChIKey of 2-methylpentane;rubidium(1+)?
The InChIKey is JOGJSCXGHTVNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.Rb/c1-4-5-6(2)3;/h6H,1,4-5H2,2-3H3;/q-1;+1.
What are the key properties of 2-methylpentane;rubidium(1+)?
2-methylpentane;rubidium(1+) has a molecular weight of 170.64 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane;rubidium(1+) is sourced from PubChem (CID 163579122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).