zinc;5-methanidylundecane;bromide

C12H25BrZn — CID 161373159

IUPACzinc;5-methanidylundecane;bromide
SMILES[Br-].[CH2-]C(CCCC)CCCCCC.[Zn+2]
InChIInChI=1S/C12H25.BrH.Zn/c1-4-6-8-9-11-12(3)10-7-5-2;;/h12H,3-11H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLILDHZSRDJAECV-UHFFFAOYSA-M
MW314.63 g/mol
LogP1.60
Rot. Bonds8

About zinc;5-methanidylundecane;bromide

zinc;5-methanidylundecane;bromide (PubChem CID 161373159) has the molecular formula C12H25BrZn and a molecular weight of 314.63 g/mol. Its IUPAC name is zinc;5-methanidylundecane;bromide.

Molecular Properties

Compound Namezinc;5-methanidylundecane;bromide
PubChem CID161373159
Molecular FormulaC12H25BrZn
Molecular Weight314.63 g/mol
Exact Mass312.04
IUPAC Namezinc;5-methanidylundecane;bromide
SMILES[Br-].[CH2-]C(CCCC)CCCCCC.[Zn+2]
InChIInChI=1S/C12H25.BrH.Zn/c1-4-6-8-9-11-12(3)10-7-5-2;;/h12H,3-11H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLILDHZSRDJAECV-UHFFFAOYSA-M
XLogP1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.63
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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5-methylicosane
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Frequently Asked Questions

What is the IUPAC name of zinc;5-methanidylundecane;bromide?
The IUPAC name of zinc;5-methanidylundecane;bromide (CID 161373159) is zinc;5-methanidylundecane;bromide.
What is the SMILES notation for zinc;5-methanidylundecane;bromide?
The canonical SMILES for zinc;5-methanidylundecane;bromide is [Br-].[CH2-]C(CCCC)CCCCCC.[Zn+2].
What is the InChIKey of zinc;5-methanidylundecane;bromide?
The InChIKey is LILDHZSRDJAECV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H25.BrH.Zn/c1-4-6-8-9-11-12(3)10-7-5-2;;/h12H,3-11H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;5-methanidylundecane;bromide?
zinc;5-methanidylundecane;bromide has a molecular weight of 314.63 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;5-methanidylundecane;bromide is sourced from PubChem (CID 161373159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).