(4R,5R)-4,5-dichlorocyclohexene

C6H8Cl2 — CID 71346716

IUPAC(4R,5R)-4,5-dichlorocyclohexene
SMILESCl[C@@H]1CC=CC[C@H]1Cl
InChIInChI=1S/C6H8Cl2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKeyIXCFDFOLHPYMRD-PHDIDXHHSA-N
MW151.04 g/mol
LogP2.55
Rot. Bonds

About (4R,5R)-4,5-dichlorocyclohexene

(4R,5R)-4,5-dichlorocyclohexene (PubChem CID 71346716) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is (4R,5R)-4,5-dichlorocyclohexene.

Molecular Properties

Compound Name(4R,5R)-4,5-dichlorocyclohexene
PubChem CID71346716
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name(4R,5R)-4,5-dichlorocyclohexene
SMILESCl[C@@H]1CC=CC[C@H]1Cl
InChIInChI=1S/C6H8Cl2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKeyIXCFDFOLHPYMRD-PHDIDXHHSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.04
LogP ≤ 52.55
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'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dichlorocyclohexene?
The IUPAC name of (4R,5R)-4,5-dichlorocyclohexene (CID 71346716) is (4R,5R)-4,5-dichlorocyclohexene.
What is the SMILES notation for (4R,5R)-4,5-dichlorocyclohexene?
The canonical SMILES for (4R,5R)-4,5-dichlorocyclohexene is Cl[C@@H]1CC=CC[C@H]1Cl.
What is the InChIKey of (4R,5R)-4,5-dichlorocyclohexene?
The InChIKey is IXCFDFOLHPYMRD-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H8Cl2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2/t5-,6-/m1/s1.
What are the key properties of (4R,5R)-4,5-dichlorocyclohexene?
(4R,5R)-4,5-dichlorocyclohexene has a molecular weight of 151.04 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dichlorocyclohexene is sourced from PubChem (CID 71346716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).