7-(bromomethyl)dispiro[2.0.24.13]heptane

C8H11Br — CID 134587325

IUPAC7-(bromomethyl)dispiro[2.0.24.13]heptane
SMILESBrCC1C2(CC2)C12CC2
InChIInChI=1S/C8H11Br/c9-5-6-7(1-2-7)8(6)3-4-8/h6H,1-5H2
InChIKeyUXEAPMKSANDKQH-UHFFFAOYSA-N
MW187.08 g/mol
LogP2.57
Rot. Bonds1

About 7-(bromomethyl)dispiro[2.0.24.13]heptane

7-(bromomethyl)dispiro[2.0.24.13]heptane (PubChem CID 134587325) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is 7-(bromomethyl)dispiro[2.0.24.13]heptane.

Molecular Properties

Compound Name7-(bromomethyl)dispiro[2.0.24.13]heptane
PubChem CID134587325
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name7-(bromomethyl)dispiro[2.0.24.13]heptane
SMILESBrCC1C2(CC2)C12CC2
InChIInChI=1S/C8H11Br/c9-5-6-7(1-2-7)8(6)3-4-8/h6H,1-5H2
InChIKeyUXEAPMKSANDKQH-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 52.57
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-(bromomethyl)dispiro[2.0.24.13]heptane?
The IUPAC name of 7-(bromomethyl)dispiro[2.0.24.13]heptane (CID 134587325) is 7-(bromomethyl)dispiro[2.0.24.13]heptane.
What is the SMILES notation for 7-(bromomethyl)dispiro[2.0.24.13]heptane?
The canonical SMILES for 7-(bromomethyl)dispiro[2.0.24.13]heptane is BrCC1C2(CC2)C12CC2.
What is the InChIKey of 7-(bromomethyl)dispiro[2.0.24.13]heptane?
The InChIKey is UXEAPMKSANDKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br/c9-5-6-7(1-2-7)8(6)3-4-8/h6H,1-5H2.
What are the key properties of 7-(bromomethyl)dispiro[2.0.24.13]heptane?
7-(bromomethyl)dispiro[2.0.24.13]heptane has a molecular weight of 187.08 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)dispiro[2.0.24.13]heptane is sourced from PubChem (CID 134587325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).