5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene

C9H12Cl2 — CID 548684

IUPAC5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene
SMILESClCC1C2C=CC(C2)C1CCl
InChIInChI=1S/C9H12Cl2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-9H,3-5H2
InChIKeyXPIGEELBPDQNLE-UHFFFAOYSA-N
MW191.10 g/mol
LogP2.90
Rot. Bonds2

About 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene

5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 548684) has the molecular formula C9H12Cl2 and a molecular weight of 191.10 g/mol. Its IUPAC name is 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID548684
Molecular FormulaC9H12Cl2
Molecular Weight191.10 g/mol
Exact Mass190.03
IUPAC Name5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene
SMILESClCC1C2C=CC(C2)C1CCl
InChIInChI=1S/C9H12Cl2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-9H,3-5H2
InChIKeyXPIGEELBPDQNLE-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene 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 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene (CID 548684) is 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene is ClCC1C2C=CC(C2)C1CCl.
What is the InChIKey of 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is XPIGEELBPDQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-9H,3-5H2.
What are the key properties of 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene?
5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 191.10 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 548684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).