chloromethylcyclopentane

C6H11Cl — CID 12815409

IUPACchloromethylcyclopentane
SMILESClCC1CCCC1
InChIInChI=1S/C6H11Cl/c7-5-6-3-1-2-4-6/h6H,1-5H2
InChIKeyNQIIILQXTJXSCA-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.42
Rot. Bonds1

About chloromethylcyclopentane

chloromethylcyclopentane (PubChem CID 12815409) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is chloromethylcyclopentane.

Molecular Properties

Compound Namechloromethylcyclopentane
PubChem CID12815409
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Namechloromethylcyclopentane
SMILESClCC1CCCC1
InChIInChI=1S/C6H11Cl/c7-5-6-3-1-2-4-6/h6H,1-5H2
InChIKeyNQIIILQXTJXSCA-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.42
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 chloromethylcyclopentane?
The IUPAC name of chloromethylcyclopentane (CID 12815409) is chloromethylcyclopentane.
What is the SMILES notation for chloromethylcyclopentane?
The canonical SMILES for chloromethylcyclopentane is ClCC1CCCC1.
What is the InChIKey of chloromethylcyclopentane?
The InChIKey is NQIIILQXTJXSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c7-5-6-3-1-2-4-6/h6H,1-5H2.
What are the key properties of chloromethylcyclopentane?
chloromethylcyclopentane has a molecular weight of 118.61 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylcyclopentane is sourced from PubChem (CID 12815409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).