6-(2-bromoethyl)spiro[2.5]octane

C10H17Br — CID 155820887

IUPAC6-(2-bromoethyl)spiro[2.5]octane
SMILESBrCCC1CCC2(CC1)CC2
InChIInChI=1S/C10H17Br/c11-8-3-9-1-4-10(5-2-9)6-7-10/h9H,1-8H2
InChIKeyPQMDRPCHQJRFPB-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.74
Rot. Bonds2

About 6-(2-bromoethyl)spiro[2.5]octane

6-(2-bromoethyl)spiro[2.5]octane (PubChem CID 155820887) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 6-(2-bromoethyl)spiro[2.5]octane.

Molecular Properties

Compound Name6-(2-bromoethyl)spiro[2.5]octane
PubChem CID155820887
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name6-(2-bromoethyl)spiro[2.5]octane
SMILESBrCCC1CCC2(CC1)CC2
InChIInChI=1S/C10H17Br/c11-8-3-9-1-4-10(5-2-9)6-7-10/h9H,1-8H2
InChIKeyPQMDRPCHQJRFPB-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-(2-bromoethyl)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-(2-bromoethyl)spiro[2.5]octane?
The IUPAC name of 6-(2-bromoethyl)spiro[2.5]octane (CID 155820887) is 6-(2-bromoethyl)spiro[2.5]octane.
What is the SMILES notation for 6-(2-bromoethyl)spiro[2.5]octane?
The canonical SMILES for 6-(2-bromoethyl)spiro[2.5]octane is BrCCC1CCC2(CC1)CC2.
What is the InChIKey of 6-(2-bromoethyl)spiro[2.5]octane?
The InChIKey is PQMDRPCHQJRFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c11-8-3-9-1-4-10(5-2-9)6-7-10/h9H,1-8H2.
What are the key properties of 6-(2-bromoethyl)spiro[2.5]octane?
6-(2-bromoethyl)spiro[2.5]octane has a molecular weight of 217.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethyl)spiro[2.5]octane is sourced from PubChem (CID 155820887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).