heptane;zinc;hydrobromide

C7H16BrZn- — CID 87905208

IUPACheptane;zinc;hydrobromide
SMILESBr.CC[CH-]CCCC.[Zn]
InChIInChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h5H,3-4,6-7H2,1-2H3;1H;/q-1;;
InChIKeyGTFBCACAXHNJRZ-UHFFFAOYSA-N
MW245.50 g/mol
LogP3.37
Rot. Bonds4

About heptane;zinc;hydrobromide

heptane;zinc;hydrobromide (PubChem CID 87905208) has the molecular formula C7H16BrZn- and a molecular weight of 245.50 g/mol. Its IUPAC name is heptane;zinc;hydrobromide.

Molecular Properties

Compound Nameheptane;zinc;hydrobromide
PubChem CID87905208
Molecular FormulaC7H16BrZn-
Molecular Weight245.50 g/mol
Exact Mass242.97
IUPAC Nameheptane;zinc;hydrobromide
SMILESBr.CC[CH-]CCCC.[Zn]
InChIInChI=1S/C7H15.BrH.Zn/c1-3-5-7-6-4-2;;/h5H,3-4,6-7H2,1-2H3;1H;/q-1;;
InChIKeyGTFBCACAXHNJRZ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.50
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of heptane;zinc;hydrobromide?
The IUPAC name of heptane;zinc;hydrobromide (CID 87905208) is heptane;zinc;hydrobromide.
What is the SMILES notation for heptane;zinc;hydrobromide?
The canonical SMILES for heptane;zinc;hydrobromide is Br.CC[CH-]CCCC.[Zn].
What is the InChIKey of heptane;zinc;hydrobromide?
The InChIKey is GTFBCACAXHNJRZ-UHFFFAOYSA-N. 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;;.
What are the key properties of heptane;zinc;hydrobromide?
heptane;zinc;hydrobromide has a molecular weight of 245.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;zinc;hydrobromide is sourced from PubChem (CID 87905208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).