1-(chloromethyl)-2-methylcyclopentane

C7H13Cl — CID 13459403

IUPAC1-(chloromethyl)-2-methylcyclopentane
SMILESCC1CCCC1CCl
InChIInChI=1S/C7H13Cl/c1-6-3-2-4-7(6)5-8/h6-7H,2-5H2,1H3
InChIKeyXYZKWWZFZFNESN-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.66
Rot. Bonds1

About 1-(chloromethyl)-2-methylcyclopentane

1-(chloromethyl)-2-methylcyclopentane (PubChem CID 13459403) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 1-(chloromethyl)-2-methylcyclopentane.

Molecular Properties

Compound Name1-(chloromethyl)-2-methylcyclopentane
PubChem CID13459403
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name1-(chloromethyl)-2-methylcyclopentane
SMILESCC1CCCC1CCl
InChIInChI=1S/C7H13Cl/c1-6-3-2-4-7(6)5-8/h6-7H,2-5H2,1H3
InChIKeyXYZKWWZFZFNESN-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-2-methylcyclopentane 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 1-(chloromethyl)-2-methylcyclopentane?
The IUPAC name of 1-(chloromethyl)-2-methylcyclopentane (CID 13459403) is 1-(chloromethyl)-2-methylcyclopentane.
What is the SMILES notation for 1-(chloromethyl)-2-methylcyclopentane?
The canonical SMILES for 1-(chloromethyl)-2-methylcyclopentane is CC1CCCC1CCl.
What is the InChIKey of 1-(chloromethyl)-2-methylcyclopentane?
The InChIKey is XYZKWWZFZFNESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-6-3-2-4-7(6)5-8/h6-7H,2-5H2,1H3.
What are the key properties of 1-(chloromethyl)-2-methylcyclopentane?
1-(chloromethyl)-2-methylcyclopentane has a molecular weight of 132.63 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-methylcyclopentane is sourced from PubChem (CID 13459403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).