bromozinc(1+);methylcyclohexane

C7H13BrZn — CID 133144590

IUPACbromozinc(1+);methylcyclohexane
SMILESCC1CC[CH-]CC1.[Zn+]Br
InChIInChI=1S/C7H13.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2,7H,3-6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPZHDIFJYOAQOPA-UHFFFAOYSA-M
MW242.47 g/mol
LogP3.24
Rot. Bonds

About bromozinc(1+);methylcyclohexane

bromozinc(1+);methylcyclohexane (PubChem CID 133144590) has the molecular formula C7H13BrZn and a molecular weight of 242.47 g/mol. Its IUPAC name is bromozinc(1+);methylcyclohexane.

Molecular Properties

Compound Namebromozinc(1+);methylcyclohexane
PubChem CID133144590
Molecular FormulaC7H13BrZn
Molecular Weight242.47 g/mol
Exact Mass239.95
IUPAC Namebromozinc(1+);methylcyclohexane
SMILESCC1CC[CH-]CC1.[Zn+]Br
InChIInChI=1S/C7H13.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2,7H,3-6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPZHDIFJYOAQOPA-UHFFFAOYSA-M
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.47
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);methylcyclohexane?
The IUPAC name of bromozinc(1+);methylcyclohexane (CID 133144590) is bromozinc(1+);methylcyclohexane.
What is the SMILES notation for bromozinc(1+);methylcyclohexane?
The canonical SMILES for bromozinc(1+);methylcyclohexane is CC1CC[CH-]CC1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);methylcyclohexane?
The InChIKey is PZHDIFJYOAQOPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2,7H,3-6H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);methylcyclohexane?
bromozinc(1+);methylcyclohexane has a molecular weight of 242.47 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);methylcyclohexane is sourced from PubChem (CID 133144590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).