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

C8H10Cl2 — CID 67785401

IUPAC1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C(Cl)=CC=CC1(C)Cl
InChIInChI=1S/C8H10Cl2/c1-6-7(9)4-3-5-8(6,2)10/h3-6H,1-2H3
InChIKeyNJMNUWRVBLSKNU-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.31
Rot. Bonds

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

1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 67785401) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is 1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene
PubChem CID67785401
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C(Cl)=CC=CC1(C)Cl
InChIInChI=1S/C8H10Cl2/c1-6-7(9)4-3-5-8(6,2)10/h3-6H,1-2H3
InChIKeyNJMNUWRVBLSKNU-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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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene (CID 67785401) is 1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene is CC1C(Cl)=CC=CC1(C)Cl.
What is the InChIKey of 1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is NJMNUWRVBLSKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-6-7(9)4-3-5-8(6,2)10/h3-6H,1-2H3.
What are the key properties of 1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene?
1,5-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 1,5-dichloro-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 67785401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).