5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene

C8H10Cl2 — CID 23052222

IUPAC5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1(Cl)C=CC=CC1(C)Cl
InChIInChI=1S/C8H10Cl2/c1-7(9)5-3-4-6-8(7,2)10/h3-6H,1-2H3
InChIKeyRJAUOJTXSQGHIN-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.11
Rot. Bonds

About 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene

5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 23052222) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene
PubChem CID23052222
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1(Cl)C=CC=CC1(C)Cl
InChIInChI=1S/C8H10Cl2/c1-7(9)5-3-4-6-8(7,2)10/h3-6H,1-2H3
InChIKeyRJAUOJTXSQGHIN-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloroxylene
CID 20259201
1-Chlorophenylethane
CID 20269703
p-Dichlorstyrol
CID 22165055
o-Dichlortoluen
CID 66643258
p-Dichlortoluen
CID 66643291
1,5-Dichloro-5,6-dimethylcyclohexa-1,3-diene
CID 67785401
2,5-Dichloroxylene
CID 68565778
1,2-Dichlorostyrene
CID 70013789
1-Chlor-p-xylol
CID 70269675
2,3,5,6-Tetrachloroxylene
CID 129774491
1,2,3,5-Tetrachloro-5,6-dimethylcyclohexa-1,3-diene
CID 162640048
6-Chloro-2-fluoro-5,6-dimethylcyclohexa-1,3-diene
CID 155017290

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene (CID 23052222) is 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene is CC1(Cl)C=CC=CC1(C)Cl.
What is the InChIKey of 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is RJAUOJTXSQGHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-7(9)5-3-4-6-8(7,2)10/h3-6H,1-2H3.
What are the key properties of 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene?
5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 177.07 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 23052222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).