zinc;heptane;bromide

C7H15BrZn — CID 24942504

IUPACzinc;heptane;bromide
SMILESCC[CH-]CCCC.[Br-].[Zn+2]
InChIInChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h5H,3-4,6-7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyQZPAOOQIWZQBDH-UHFFFAOYSA-M
MW244.49 g/mol
LogP-0.21
Rot. Bonds4

About zinc;heptane;bromide

zinc;heptane;bromide (PubChem CID 24942504) has the molecular formula C7H15BrZn and a molecular weight of 244.49 g/mol. Its IUPAC name is zinc;heptane;bromide.

Molecular Properties

Compound Namezinc;heptane;bromide
PubChem CID24942504
Molecular FormulaC7H15BrZn
Molecular Weight244.49 g/mol
Exact Mass241.96
IUPAC Namezinc;heptane;bromide
SMILESCC[CH-]CCCC.[Br-].[Zn+2]
InChIInChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h5H,3-4,6-7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyQZPAOOQIWZQBDH-UHFFFAOYSA-M
XLogP-0.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': '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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Frequently Asked Questions

What is the IUPAC name of zinc;heptane;bromide?
The IUPAC name of zinc;heptane;bromide (CID 24942504) is zinc;heptane;bromide.
What is the SMILES notation for zinc;heptane;bromide?
The canonical SMILES for zinc;heptane;bromide is CC[CH-]CCCC.[Br-].[Zn+2].
What is the InChIKey of zinc;heptane;bromide?
The InChIKey is QZPAOOQIWZQBDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h5H,3-4,6-7H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;heptane;bromide?
zinc;heptane;bromide has a molecular weight of 244.49 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;heptane;bromide is sourced from PubChem (CID 24942504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).