7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane

C8H10Br2 — CID 10890787

IUPAC7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane
SMILESBrCC1(Br)C2(CC2)C12CC2
InChIInChI=1S/C8H10Br2/c9-5-8(10)6(1-2-6)7(8)3-4-7/h1-5H2
InChIKeyUFYCPRDJYFGVDV-UHFFFAOYSA-N
MW265.98 g/mol
LogP3.09
Rot. Bonds1

About 7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane

7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane (PubChem CID 10890787) has the molecular formula C8H10Br2 and a molecular weight of 265.98 g/mol. Its IUPAC name is 7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane.

Molecular Properties

Compound Name7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane
PubChem CID10890787
Molecular FormulaC8H10Br2
Molecular Weight265.98 g/mol
Exact Mass263.91
IUPAC Name7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane
SMILESBrCC1(Br)C2(CC2)C12CC2
InChIInChI=1S/C8H10Br2/c9-5-8(10)6(1-2-6)7(8)3-4-7/h1-5H2
InChIKeyUFYCPRDJYFGVDV-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.98
LogP ≤ 53.09
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-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane?
The IUPAC name of 7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane (CID 10890787) is 7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane.
What is the SMILES notation for 7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane?
The canonical SMILES for 7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane is BrCC1(Br)C2(CC2)C12CC2.
What is the InChIKey of 7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane?
The InChIKey is UFYCPRDJYFGVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2/c9-5-8(10)6(1-2-6)7(8)3-4-7/h1-5H2.
What are the key properties of 7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane?
7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane has a molecular weight of 265.98 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-7-(bromomethyl)dispiro[2.0.24.13]heptane is sourced from PubChem (CID 10890787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).