3,4-dichlorocyclohexene

C6H8Cl2 — CID 13168758

IUPAC3,4-dichlorocyclohexene
SMILESClC1C=CCCC1Cl
InChIInChI=1S/C6H8Cl2/c7-5-3-1-2-4-6(5)8/h1,3,5-6H,2,4H2
InChIKeyXMRSWQWOEAGAPO-UHFFFAOYSA-N
MW151.04 g/mol
LogP2.55
Rot. Bonds

About 3,4-dichlorocyclohexene

3,4-dichlorocyclohexene (PubChem CID 13168758) has the molecular formula C6H8Cl2 and a molecular weight of 151.04 g/mol. Its IUPAC name is 3,4-dichlorocyclohexene.

Molecular Properties

Compound Name3,4-dichlorocyclohexene
PubChem CID13168758
Molecular FormulaC6H8Cl2
Molecular Weight151.04 g/mol
Exact Mass150.00
IUPAC Name3,4-dichlorocyclohexene
SMILESClC1C=CCCC1Cl
InChIInChI=1S/C6H8Cl2/c7-5-3-1-2-4-6(5)8/h1,3,5-6H,2,4H2
InChIKeyXMRSWQWOEAGAPO-UHFFFAOYSA-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 3,4-dichlorocyclohexene?
The IUPAC name of 3,4-dichlorocyclohexene (CID 13168758) is 3,4-dichlorocyclohexene.
What is the SMILES notation for 3,4-dichlorocyclohexene?
The canonical SMILES for 3,4-dichlorocyclohexene is ClC1C=CCCC1Cl.
What is the InChIKey of 3,4-dichlorocyclohexene?
The InChIKey is XMRSWQWOEAGAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2/c7-5-3-1-2-4-6(5)8/h1,3,5-6H,2,4H2.
What are the key properties of 3,4-dichlorocyclohexene?
3,4-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 3,4-dichlorocyclohexene is sourced from PubChem (CID 13168758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).