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

C8H8Cl2 — CID 70013789

IUPAC5,6-dichloro-5-ethenylcyclohexa-1,3-diene
SMILESC=CC1(Cl)C=CC=CC1Cl
InChIInChI=1S/C8H8Cl2/c1-2-8(10)6-4-3-5-7(8)9/h2-7H,1H2
InChIKeyUUVOWFWRTLPGBP-UHFFFAOYSA-N
MW175.06 g/mol
LogP2.88
Rot. Bonds1

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

5,6-dichloro-5-ethenylcyclohexa-1,3-diene (PubChem CID 70013789) has the molecular formula C8H8Cl2 and a molecular weight of 175.06 g/mol. Its IUPAC name is 5,6-dichloro-5-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dichloro-5-ethenylcyclohexa-1,3-diene
PubChem CID70013789
Molecular FormulaC8H8Cl2
Molecular Weight175.06 g/mol
Exact Mass174.00
IUPAC Name5,6-dichloro-5-ethenylcyclohexa-1,3-diene
SMILESC=CC1(Cl)C=CC=CC1Cl
InChIInChI=1S/C8H8Cl2/c1-2-8(10)6-4-3-5-7(8)9/h2-7H,1H2
InChIKeyUUVOWFWRTLPGBP-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-5-ethenylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dichloro-5-ethenylcyclohexa-1,3-diene (CID 70013789) is 5,6-dichloro-5-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dichloro-5-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dichloro-5-ethenylcyclohexa-1,3-diene is C=CC1(Cl)C=CC=CC1Cl.
What is the InChIKey of 5,6-dichloro-5-ethenylcyclohexa-1,3-diene?
The InChIKey is UUVOWFWRTLPGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2/c1-2-8(10)6-4-3-5-7(8)9/h2-7H,1H2.
What are the key properties of 5,6-dichloro-5-ethenylcyclohexa-1,3-diene?
5,6-dichloro-5-ethenylcyclohexa-1,3-diene has a molecular weight of 175.06 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-5-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 70013789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).