6-(bromomethyl)spiro[2.5]octane

C9H15Br — CID 90318667

IUPAC6-(bromomethyl)spiro[2.5]octane
SMILESBrCC1CCC2(CC1)CC2
InChIInChI=1S/C9H15Br/c10-7-8-1-3-9(4-2-8)5-6-9/h8H,1-7H2
InChIKeyIIFZLQXNYVVXGM-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.35
Rot. Bonds1

About 6-(bromomethyl)spiro[2.5]octane

6-(bromomethyl)spiro[2.5]octane (PubChem CID 90318667) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 6-(bromomethyl)spiro[2.5]octane.

Molecular Properties

Compound Name6-(bromomethyl)spiro[2.5]octane
PubChem CID90318667
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name6-(bromomethyl)spiro[2.5]octane
SMILESBrCC1CCC2(CC1)CC2
InChIInChI=1S/C9H15Br/c10-7-8-1-3-9(4-2-8)5-6-9/h8H,1-7H2
InChIKeyIIFZLQXNYVVXGM-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-(bromomethyl)spiro[2.5]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)spiro[2.5]octane?
The IUPAC name of 6-(bromomethyl)spiro[2.5]octane (CID 90318667) is 6-(bromomethyl)spiro[2.5]octane.
What is the SMILES notation for 6-(bromomethyl)spiro[2.5]octane?
The canonical SMILES for 6-(bromomethyl)spiro[2.5]octane is BrCC1CCC2(CC1)CC2.
What is the InChIKey of 6-(bromomethyl)spiro[2.5]octane?
The InChIKey is IIFZLQXNYVVXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c10-7-8-1-3-9(4-2-8)5-6-9/h8H,1-7H2.
What are the key properties of 6-(bromomethyl)spiro[2.5]octane?
6-(bromomethyl)spiro[2.5]octane has a molecular weight of 203.12 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)spiro[2.5]octane is sourced from PubChem (CID 90318667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).