chlorocyclohexane

C6H11Cl — CID 10952

IUPACchlorocyclohexane
SMILESClC1CCCCC1
InChIInChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyUNFUYWDGSFDHCW-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.56
Rot. Bonds

About chlorocyclohexane

chlorocyclohexane (PubChem CID 10952) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is chlorocyclohexane.

Molecular Properties

Compound Namechlorocyclohexane
PubChem CID10952
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Namechlorocyclohexane
SMILESClC1CCCCC1
InChIInChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyUNFUYWDGSFDHCW-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.56
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 chlorocyclohexane?
The IUPAC name of chlorocyclohexane (CID 10952) is chlorocyclohexane.
What is the SMILES notation for chlorocyclohexane?
The canonical SMILES for chlorocyclohexane is ClC1CCCCC1.
What is the InChIKey of chlorocyclohexane?
The InChIKey is UNFUYWDGSFDHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of chlorocyclohexane?
chlorocyclohexane has a molecular weight of 118.61 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocyclohexane is sourced from PubChem (CID 10952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).