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

C7H8Cl2 — CID 66643258

IUPAC5,6-dichloro-5-methylcyclohexa-1,3-diene
SMILESCC1(Cl)C=CC=CC1Cl
InChIInChI=1S/C7H8Cl2/c1-7(9)5-3-2-4-6(7)8/h2-6H,1H3
InChIKeyPCEVCXPUGOBVFG-UHFFFAOYSA-N
MW163.05 g/mol
LogP2.72
Rot. Bonds

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

5,6-dichloro-5-methylcyclohexa-1,3-diene (PubChem CID 66643258) has the molecular formula C7H8Cl2 and a molecular weight of 163.05 g/mol. Its IUPAC name is 5,6-dichloro-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dichloro-5-methylcyclohexa-1,3-diene
PubChem CID66643258
Molecular FormulaC7H8Cl2
Molecular Weight163.05 g/mol
Exact Mass162.00
IUPAC Name5,6-dichloro-5-methylcyclohexa-1,3-diene
SMILESCC1(Cl)C=CC=CC1Cl
InChIInChI=1S/C7H8Cl2/c1-7(9)5-3-2-4-6(7)8/h2-6H,1H3
InChIKeyPCEVCXPUGOBVFG-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.05
LogP ≤ 52.72
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 5,6-dichloro-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dichloro-5-methylcyclohexa-1,3-diene (CID 66643258) is 5,6-dichloro-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dichloro-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dichloro-5-methylcyclohexa-1,3-diene is CC1(Cl)C=CC=CC1Cl.
What is the InChIKey of 5,6-dichloro-5-methylcyclohexa-1,3-diene?
The InChIKey is PCEVCXPUGOBVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2/c1-7(9)5-3-2-4-6(7)8/h2-6H,1H3.
What are the key properties of 5,6-dichloro-5-methylcyclohexa-1,3-diene?
5,6-dichloro-5-methylcyclohexa-1,3-diene has a molecular weight of 163.05 g/mol, XLogP of 2.72, 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-methylcyclohexa-1,3-diene is sourced from PubChem (CID 66643258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).