5,5-dichlorocyclooctene

C8H12Cl2 — CID 54259732

IUPAC5,5-dichlorocyclooctene
SMILESClC1(Cl)CCC=CCCC1
InChIInChI=1S/C8H12Cl2/c9-8(10)6-4-2-1-3-5-7-8/h1-2H,3-7H2
InChIKeyRCQICDBNOSONBE-UHFFFAOYSA-N
MW179.09 g/mol
LogP3.68
Rot. Bonds

About 5,5-dichlorocyclooctene

5,5-dichlorocyclooctene (PubChem CID 54259732) has the molecular formula C8H12Cl2 and a molecular weight of 179.09 g/mol. Its IUPAC name is 5,5-dichlorocyclooctene.

Molecular Properties

Compound Name5,5-dichlorocyclooctene
PubChem CID54259732
Molecular FormulaC8H12Cl2
Molecular Weight179.09 g/mol
Exact Mass178.03
IUPAC Name5,5-dichlorocyclooctene
SMILESClC1(Cl)CCC=CCCC1
InChIInChI=1S/C8H12Cl2/c9-8(10)6-4-2-1-3-5-7-8/h1-2H,3-7H2
InChIKeyRCQICDBNOSONBE-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.09
LogP ≤ 53.68
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 5,5-dichlorocyclooctene?
The IUPAC name of 5,5-dichlorocyclooctene (CID 54259732) is 5,5-dichlorocyclooctene.
What is the SMILES notation for 5,5-dichlorocyclooctene?
The canonical SMILES for 5,5-dichlorocyclooctene is ClC1(Cl)CCC=CCCC1.
What is the InChIKey of 5,5-dichlorocyclooctene?
The InChIKey is RCQICDBNOSONBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2/c9-8(10)6-4-2-1-3-5-7-8/h1-2H,3-7H2.
What are the key properties of 5,5-dichlorocyclooctene?
5,5-dichlorocyclooctene has a molecular weight of 179.09 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichlorocyclooctene is sourced from PubChem (CID 54259732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).