1,2-dichlorocycloocta-1,5-diene

C8H10Cl2 — CID 54311829

IUPAC1,2-dichlorocycloocta-1,5-diene
SMILESClC1=C(Cl)CCC=CCC1
InChIInChI=1S/C8H10Cl2/c9-7-5-3-1-2-4-6-8(7)10/h1-2H,3-6H2
InChIKeySLLDDDJWIRFAGU-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.81
Rot. Bonds

About 1,2-dichlorocycloocta-1,5-diene

1,2-dichlorocycloocta-1,5-diene (PubChem CID 54311829) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is 1,2-dichlorocycloocta-1,5-diene.

Molecular Properties

Compound Name1,2-dichlorocycloocta-1,5-diene
PubChem CID54311829
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name1,2-dichlorocycloocta-1,5-diene
SMILESClC1=C(Cl)CCC=CCC1
InChIInChI=1S/C8H10Cl2/c9-7-5-3-1-2-4-6-8(7)10/h1-2H,3-6H2
InChIKeySLLDDDJWIRFAGU-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorocycloocta-1,5-diene?
The IUPAC name of 1,2-dichlorocycloocta-1,5-diene (CID 54311829) is 1,2-dichlorocycloocta-1,5-diene.
What is the SMILES notation for 1,2-dichlorocycloocta-1,5-diene?
The canonical SMILES for 1,2-dichlorocycloocta-1,5-diene is ClC1=C(Cl)CCC=CCC1.
What is the InChIKey of 1,2-dichlorocycloocta-1,5-diene?
The InChIKey is SLLDDDJWIRFAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2/c9-7-5-3-1-2-4-6-8(7)10/h1-2H,3-6H2.
What are the key properties of 1,2-dichlorocycloocta-1,5-diene?
1,2-dichlorocycloocta-1,5-diene has a molecular weight of 177.07 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorocycloocta-1,5-diene is sourced from PubChem (CID 54311829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).