2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene

C8H10Cl2 — CID 68565778

IUPAC2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=C(Cl)C=CC1(C)Cl
InChIInChI=1S/C8H10Cl2/c1-6-5-7(9)3-4-8(6,2)10/h3-6H,1-2H3
InChIKeyUADLUJIUAQAUHR-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.31
Rot. Bonds

About 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene

2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 68565778) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene
PubChem CID68565778
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=C(Cl)C=CC1(C)Cl
InChIInChI=1S/C8H10Cl2/c1-6-5-7(9)3-4-8(6,2)10/h3-6H,1-2H3
InChIKeyUADLUJIUAQAUHR-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dimethyl-1,3-cyclohexadiene
CID 564578
cis-5,6-Dimethylcyclohexadiene
CID 13412122
2-Chloroxylene
CID 20259201
1-Chlorophenylethane
CID 20269703
p-Dichlorstyrol
CID 22165055
o-Dichlorxylol
CID 23052222
p-Dichlortoluen
CID 66643291
1,5-Dichloro-5,6-dimethylcyclohexa-1,3-diene
CID 67785401
1-Chlor-p-xylol
CID 70269675
trans-5,6-Dimethylcyclohexadiene
CID 101606932
2,3,5,6-Tetrachloroxylene
CID 129774491
1,2,3,5-Tetrachloro-5,6-dimethylcyclohexa-1,3-diene
CID 162640048

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene (CID 68565778) is 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene is CC1C=C(Cl)C=CC1(C)Cl.
What is the InChIKey of 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is UADLUJIUAQAUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-6-5-7(9)3-4-8(6,2)10/h3-6H,1-2H3.
What are the key properties of 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene?
2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 177.07 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 68565778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).