5,5-dichlorocyclohexa-1,3-diene

C6H6Cl2 — CID 21464663

IUPAC5,5-dichlorocyclohexa-1,3-diene
SMILESClC1(Cl)C=CC=CC1
InChIInChI=1S/C6H6Cl2/c7-6(8)4-2-1-3-5-6/h1-4H,5H2
InChIKeyXWTGEDNUGUMEPF-UHFFFAOYSA-N
MW149.02 g/mol
LogP2.68
Rot. Bonds

About 5,5-dichlorocyclohexa-1,3-diene

5,5-dichlorocyclohexa-1,3-diene (PubChem CID 21464663) has the molecular formula C6H6Cl2 and a molecular weight of 149.02 g/mol. Its IUPAC name is 5,5-dichlorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-dichlorocyclohexa-1,3-diene
PubChem CID21464663
Molecular FormulaC6H6Cl2
Molecular Weight149.02 g/mol
Exact Mass147.98
IUPAC Name5,5-dichlorocyclohexa-1,3-diene
SMILESClC1(Cl)C=CC=CC1
InChIInChI=1S/C6H6Cl2/c7-6(8)4-2-1-3-5-6/h1-4H,5H2
InChIKeyXWTGEDNUGUMEPF-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.02
LogP ≤ 52.68
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 5,5-dichlorocyclohexa-1,3-diene?
The IUPAC name of 5,5-dichlorocyclohexa-1,3-diene (CID 21464663) is 5,5-dichlorocyclohexa-1,3-diene.
What is the SMILES notation for 5,5-dichlorocyclohexa-1,3-diene?
The canonical SMILES for 5,5-dichlorocyclohexa-1,3-diene is ClC1(Cl)C=CC=CC1.
What is the InChIKey of 5,5-dichlorocyclohexa-1,3-diene?
The InChIKey is XWTGEDNUGUMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2/c7-6(8)4-2-1-3-5-6/h1-4H,5H2.
What are the key properties of 5,5-dichlorocyclohexa-1,3-diene?
5,5-dichlorocyclohexa-1,3-diene has a molecular weight of 149.02 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichlorocyclohexa-1,3-diene is sourced from PubChem (CID 21464663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).