zinc bis(2-methylpentane)

C12H26Zn — CID 11481754

IUPACzinc bis(2-methylpentane)
SMILES[CH2-]CCC(C)C.[CH2-]CCC(C)C.[Zn+2]
InChIInChI=1S/2C6H13.Zn/c2*1-4-5-6(2)3;/h2*6H,1,4-5H2,2-3H3;/q2*-1;+2
InChIKeyGGLPFGPIOMLKRO-UHFFFAOYSA-N
MW235.73 g/mol
LogP4.51
Rot. Bonds4

About zinc bis(2-methylpentane)

zinc bis(2-methylpentane) (PubChem CID 11481754) has the molecular formula C12H26Zn and a molecular weight of 235.73 g/mol. Its IUPAC name is zinc bis(2-methylpentane).

Molecular Properties

Compound Namezinc bis(2-methylpentane)
PubChem CID11481754
Molecular FormulaC12H26Zn
Molecular Weight235.73 g/mol
Exact Mass234.13
IUPAC Namezinc bis(2-methylpentane)
SMILES[CH2-]CCC(C)C.[CH2-]CCC(C)C.[Zn+2]
InChIInChI=1S/2C6H13.Zn/c2*1-4-5-6(2)3;/h2*6H,1,4-5H2,2-3H3;/q2*-1;+2
InChIKeyGGLPFGPIOMLKRO-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.73
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentane;rubidium(1+)
CID 163579122
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
2-methylnonane;titanium;hydrate
CID 174186153
magnesium;2-methylheptane;propane
CID 140617225
2-methyloctane;titanium(4+);trihydroxide
CID 174186181
2,5-dimethylheptane
CID 90756934

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-methylpentane)?
The IUPAC name of zinc bis(2-methylpentane) (CID 11481754) is zinc bis(2-methylpentane).
What is the SMILES notation for zinc bis(2-methylpentane)?
The canonical SMILES for zinc bis(2-methylpentane) is [CH2-]CCC(C)C.[CH2-]CCC(C)C.[Zn+2].
What is the InChIKey of zinc bis(2-methylpentane)?
The InChIKey is GGLPFGPIOMLKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13.Zn/c2*1-4-5-6(2)3;/h2*6H,1,4-5H2,2-3H3;/q2*-1;+2.
What are the key properties of zinc bis(2-methylpentane)?
zinc bis(2-methylpentane) has a molecular weight of 235.73 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-methylpentane) is sourced from PubChem (CID 11481754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).