7-chloro-2,3-dimethylbicyclo[3.3.1]nonane

C11H19Cl — CID 130192142

IUPAC7-chloro-2,3-dimethylbicyclo[3.3.1]nonane
SMILESCC1CC2CC(Cl)CC(C2)C1C
InChIInChI=1S/C11H19Cl/c1-7-3-9-4-10(8(7)2)6-11(12)5-9/h7-11H,3-6H2,1-2H3
InChIKeyDGZZOLDPCVGPMF-UHFFFAOYSA-N
MW186.73 g/mol
LogP3.69
Rot. Bonds

About 7-chloro-2,3-dimethylbicyclo[3.3.1]nonane

7-chloro-2,3-dimethylbicyclo[3.3.1]nonane (PubChem CID 130192142) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is 7-chloro-2,3-dimethylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7-chloro-2,3-dimethylbicyclo[3.3.1]nonane
PubChem CID130192142
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name7-chloro-2,3-dimethylbicyclo[3.3.1]nonane
SMILESCC1CC2CC(Cl)CC(C2)C1C
InChIInChI=1S/C11H19Cl/c1-7-3-9-4-10(8(7)2)6-11(12)5-9/h7-11H,3-6H2,1-2H3
InChIKeyDGZZOLDPCVGPMF-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 53.69
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-chloro-2,3-dimethylbicyclo[3.3.1]nonane?
The IUPAC name of 7-chloro-2,3-dimethylbicyclo[3.3.1]nonane (CID 130192142) is 7-chloro-2,3-dimethylbicyclo[3.3.1]nonane.
What is the SMILES notation for 7-chloro-2,3-dimethylbicyclo[3.3.1]nonane?
The canonical SMILES for 7-chloro-2,3-dimethylbicyclo[3.3.1]nonane is CC1CC2CC(Cl)CC(C2)C1C.
What is the InChIKey of 7-chloro-2,3-dimethylbicyclo[3.3.1]nonane?
The InChIKey is DGZZOLDPCVGPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl/c1-7-3-9-4-10(8(7)2)6-11(12)5-9/h7-11H,3-6H2,1-2H3.
What are the key properties of 7-chloro-2,3-dimethylbicyclo[3.3.1]nonane?
7-chloro-2,3-dimethylbicyclo[3.3.1]nonane has a molecular weight of 186.73 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dimethylbicyclo[3.3.1]nonane is sourced from PubChem (CID 130192142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).