7,7-dibromodispiro[2.0.24.13]heptane

C7H8Br2 — CID 11086234

IUPAC7,7-dibromodispiro[2.0.24.13]heptane
SMILESBrC1(Br)C2(CC2)C12CC2
InChIInChI=1S/C7H8Br2/c8-7(9)5(1-2-5)6(7)3-4-6/h1-4H2
InChIKeyZPVWBNKTZAZWFU-UHFFFAOYSA-N
MW251.95 g/mol
LogP3.05
Rot. Bonds

About 7,7-dibromodispiro[2.0.24.13]heptane

7,7-dibromodispiro[2.0.24.13]heptane (PubChem CID 11086234) has the molecular formula C7H8Br2 and a molecular weight of 251.95 g/mol. Its IUPAC name is 7,7-dibromodispiro[2.0.24.13]heptane.

Molecular Properties

Compound Name7,7-dibromodispiro[2.0.24.13]heptane
PubChem CID11086234
Molecular FormulaC7H8Br2
Molecular Weight251.95 g/mol
Exact Mass249.90
IUPAC Name7,7-dibromodispiro[2.0.24.13]heptane
SMILESBrC1(Br)C2(CC2)C12CC2
InChIInChI=1S/C7H8Br2/c8-7(9)5(1-2-5)6(7)3-4-6/h1-4H2
InChIKeyZPVWBNKTZAZWFU-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.95
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-dibromodispiro[2.0.24.13]heptane?
The IUPAC name of 7,7-dibromodispiro[2.0.24.13]heptane (CID 11086234) is 7,7-dibromodispiro[2.0.24.13]heptane.
What is the SMILES notation for 7,7-dibromodispiro[2.0.24.13]heptane?
The canonical SMILES for 7,7-dibromodispiro[2.0.24.13]heptane is BrC1(Br)C2(CC2)C12CC2.
What is the InChIKey of 7,7-dibromodispiro[2.0.24.13]heptane?
The InChIKey is ZPVWBNKTZAZWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2/c8-7(9)5(1-2-5)6(7)3-4-6/h1-4H2.
What are the key properties of 7,7-dibromodispiro[2.0.24.13]heptane?
7,7-dibromodispiro[2.0.24.13]heptane has a molecular weight of 251.95 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dibromodispiro[2.0.24.13]heptane is sourced from PubChem (CID 11086234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).