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

C8H10Cl2 — CID 141130315

IUPAC5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene
SMILESCC1=C(C)CC(Cl)(Cl)C=C1
InChIInChI=1S/C8H10Cl2/c1-6-3-4-8(9,10)5-7(6)2/h3-4H,5H2,1-2H3
InChIKeyKQNJVRLDSGHMLL-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.46
Rot. Bonds

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

5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene (PubChem CID 141130315) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is 5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene
PubChem CID141130315
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene
SMILESCC1=C(C)CC(Cl)(Cl)C=C1
InChIInChI=1S/C8H10Cl2/c1-6-3-4-8(9,10)5-7(6)2/h3-4H,5H2,1-2H3
InChIKeyKQNJVRLDSGHMLL-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene
CID 18737557
(3E)-4-(1-chloroethenyl)-3-fluorohepta-1,3-diene
CID 143011956
2-Chloro-1,3-diethylcyclohepta-1,3,5-triene
CID 121219883
6-(Dichloromethylidene)-3,3-dimethylcyclohexa-1,4-diene
CID 11745398
3-Methyl-6-methylidene-3-(trichloromethyl)cyclohexa-1,4-diene
CID 12716446
1-(1,2,2-Trichloroethenyl)cyclohexene
CID 12858430
1-Chloro-2-methylcyclohexa-1,3-diene
CID 14111369
2-Chloro-1,3-dimethylcyclohexa-1,3-diene
CID 14111430
2,4-Dichloro-1-ethylcyclohexa-1,3-diene
CID 19096890
2-Butyl-1-chlorocyclohexa-1,3-diene
CID 19775350
1,3-Dichloro-2-propylcyclohexa-1,3-diene
CID 19775355
1-Chloro-2-propylcyclohexa-1,3-diene
CID 19775360

Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene (CID 141130315) is 5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene is CC1=C(C)CC(Cl)(Cl)C=C1.
What is the InChIKey of 5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene?
The InChIKey is KQNJVRLDSGHMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-6-3-4-8(9,10)5-7(6)2/h3-4H,5H2,1-2H3.
What are the key properties of 5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene?
5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene has a molecular weight of 177.07 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 141130315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).