zinc;2-methylhexane;bromide

C7H15BrZn — CID 158835024

IUPACzinc;2-methylhexane;bromide
SMILESCCCC[C-](C)C.[Br-].[Zn+2]
InChIInChI=1S/C7H15.BrH.Zn/c1-4-5-6-7(2)3;;/h4-6H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyNGJUNQUYPBOVBM-UHFFFAOYSA-M
MW244.49 g/mol
LogP-0.21
Rot. Bonds3

About zinc;2-methylhexane;bromide

zinc;2-methylhexane;bromide (PubChem CID 158835024) has the molecular formula C7H15BrZn and a molecular weight of 244.49 g/mol. Its IUPAC name is zinc;2-methylhexane;bromide.

Molecular Properties

Compound Namezinc;2-methylhexane;bromide
PubChem CID158835024
Molecular FormulaC7H15BrZn
Molecular Weight244.49 g/mol
Exact Mass241.96
IUPAC Namezinc;2-methylhexane;bromide
SMILESCCCC[C-](C)C.[Br-].[Zn+2]
InChIInChI=1S/C7H15.BrH.Zn/c1-4-5-6-7(2)3;;/h4-6H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyNGJUNQUYPBOVBM-UHFFFAOYSA-M
XLogP-0.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.49
LogP ≤ 5-0.21
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

sodium 2-methylundecane
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lithium;hexane;methyl(propan-2-yl)silane
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heptane;platinum
CID 160745252
tris(butan-1-ol);2-methylbutane;titanium
CID 87900303
dohexacontane
CID 522644
CID 161246447
CID 161246447
hexane;tetrahydrochloride
CID 18520801
henoctacontane
CID 22086342
hexane;molybdenum
CID 162092649
alumane;pentane
CID 173125985

Frequently Asked Questions

What is the IUPAC name of zinc;2-methylhexane;bromide?
The IUPAC name of zinc;2-methylhexane;bromide (CID 158835024) is zinc;2-methylhexane;bromide.
What is the SMILES notation for zinc;2-methylhexane;bromide?
The canonical SMILES for zinc;2-methylhexane;bromide is CCCC[C-](C)C.[Br-].[Zn+2].
What is the InChIKey of zinc;2-methylhexane;bromide?
The InChIKey is NGJUNQUYPBOVBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15.BrH.Zn/c1-4-5-6-7(2)3;;/h4-6H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;2-methylhexane;bromide?
zinc;2-methylhexane;bromide has a molecular weight of 244.49 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-methylhexane;bromide is sourced from PubChem (CID 158835024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).