6-bromohexylcyclopropane

C9H17Br — CID 22413033

IUPAC6-bromohexylcyclopropane
SMILESBrCCCCCCC1CC1
InChIInChI=1S/C9H17Br/c10-8-4-2-1-3-5-9-6-7-9/h9H,1-8H2
InChIKeyZKQLRWWYLPHVKH-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.74
Rot. Bonds6

About 6-bromohexylcyclopropane

6-bromohexylcyclopropane (PubChem CID 22413033) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 6-bromohexylcyclopropane.

Molecular Properties

Compound Name6-bromohexylcyclopropane
PubChem CID22413033
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name6-bromohexylcyclopropane
SMILESBrCCCCCCC1CC1
InChIInChI=1S/C9H17Br/c10-8-4-2-1-3-5-9-6-7-9/h9H,1-8H2
InChIKeyZKQLRWWYLPHVKH-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-bromohexylcyclopropane 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-bromohexylcyclopropane?
The IUPAC name of 6-bromohexylcyclopropane (CID 22413033) is 6-bromohexylcyclopropane.
What is the SMILES notation for 6-bromohexylcyclopropane?
The canonical SMILES for 6-bromohexylcyclopropane is BrCCCCCCC1CC1.
What is the InChIKey of 6-bromohexylcyclopropane?
The InChIKey is ZKQLRWWYLPHVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c10-8-4-2-1-3-5-9-6-7-9/h9H,1-8H2.
What are the key properties of 6-bromohexylcyclopropane?
6-bromohexylcyclopropane has a molecular weight of 205.14 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexylcyclopropane is sourced from PubChem (CID 22413033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).