(4R)-4-chlorocyclohexene

C6H9Cl — CID 96566940

IUPAC(4R)-4-chlorocyclohexene
SMILESCl[C@H]1CC=CCC1
InChIInChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2/t6-/m0/s1
InChIKeyNCDVDTXDSDVLPL-LURJTMIESA-N
MW116.59 g/mol
LogP2.33
Rot. Bonds

About (4R)-4-chlorocyclohexene

(4R)-4-chlorocyclohexene (PubChem CID 96566940) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is (4R)-4-chlorocyclohexene.

Molecular Properties

Compound Name(4R)-4-chlorocyclohexene
PubChem CID96566940
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name(4R)-4-chlorocyclohexene
SMILESCl[C@H]1CC=CCC1
InChIInChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2/t6-/m0/s1
InChIKeyNCDVDTXDSDVLPL-LURJTMIESA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4R)-4-chlorocyclohexene 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 (4R)-4-chlorocyclohexene?
The IUPAC name of (4R)-4-chlorocyclohexene (CID 96566940) is (4R)-4-chlorocyclohexene.
What is the SMILES notation for (4R)-4-chlorocyclohexene?
The canonical SMILES for (4R)-4-chlorocyclohexene is Cl[C@H]1CC=CCC1.
What is the InChIKey of (4R)-4-chlorocyclohexene?
The InChIKey is NCDVDTXDSDVLPL-LURJTMIESA-N. The full InChI is InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2/t6-/m0/s1.
What are the key properties of (4R)-4-chlorocyclohexene?
(4R)-4-chlorocyclohexene has a molecular weight of 116.59 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-chlorocyclohexene is sourced from PubChem (CID 96566940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).