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

C8H8Cl2 — CID 22165055

IUPAC2,5-dichloro-5-ethenylcyclohexa-1,3-diene
SMILESC=CC1(Cl)C=CC(Cl)=CC1
InChIInChI=1S/C8H8Cl2/c1-2-8(10)5-3-7(9)4-6-8/h2-5H,1,6H2
InChIKeyVTCSNDCDIZADBA-UHFFFAOYSA-N
MW175.06 g/mol
LogP3.23
Rot. Bonds1

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

2,5-dichloro-5-ethenylcyclohexa-1,3-diene (PubChem CID 22165055) has the molecular formula C8H8Cl2 and a molecular weight of 175.06 g/mol. Its IUPAC name is 2,5-dichloro-5-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dichloro-5-ethenylcyclohexa-1,3-diene
PubChem CID22165055
Molecular FormulaC8H8Cl2
Molecular Weight175.06 g/mol
Exact Mass174.00
IUPAC Name2,5-dichloro-5-ethenylcyclohexa-1,3-diene
SMILESC=CC1(Cl)C=CC(Cl)=CC1
InChIInChI=1S/C8H8Cl2/c1-2-8(10)5-3-7(9)4-6-8/h2-5H,1,6H2
InChIKeyVTCSNDCDIZADBA-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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 2,5-dichloro-5-ethenylcyclohexa-1,3-diene?
The IUPAC name of 2,5-dichloro-5-ethenylcyclohexa-1,3-diene (CID 22165055) is 2,5-dichloro-5-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dichloro-5-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 2,5-dichloro-5-ethenylcyclohexa-1,3-diene is C=CC1(Cl)C=CC(Cl)=CC1.
What is the InChIKey of 2,5-dichloro-5-ethenylcyclohexa-1,3-diene?
The InChIKey is VTCSNDCDIZADBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2/c1-2-8(10)5-3-7(9)4-6-8/h2-5H,1,6H2.
What are the key properties of 2,5-dichloro-5-ethenylcyclohexa-1,3-diene?
2,5-dichloro-5-ethenylcyclohexa-1,3-diene has a molecular weight of 175.06 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-5-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 22165055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).