chloromethylcyclohexane

C7H13Cl — CID 3015335

IUPACchloromethylcyclohexane
SMILESClCC1CCCCC1
InChIInChI=1S/C7H13Cl/c8-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyOMEGHMBBBTYRFT-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.81
Rot. Bonds1

About chloromethylcyclohexane

chloromethylcyclohexane (PubChem CID 3015335) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is chloromethylcyclohexane.

Molecular Properties

Compound Namechloromethylcyclohexane
PubChem CID3015335
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Namechloromethylcyclohexane
SMILESClCC1CCCCC1
InChIInChI=1S/C7H13Cl/c8-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyOMEGHMBBBTYRFT-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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 chloromethylcyclohexane?
The IUPAC name of chloromethylcyclohexane (CID 3015335) is chloromethylcyclohexane.
What is the SMILES notation for chloromethylcyclohexane?
The canonical SMILES for chloromethylcyclohexane is ClCC1CCCCC1.
What is the InChIKey of chloromethylcyclohexane?
The InChIKey is OMEGHMBBBTYRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c8-6-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of chloromethylcyclohexane?
chloromethylcyclohexane has a molecular weight of 132.63 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylcyclohexane is sourced from PubChem (CID 3015335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).