chlorocyclooctatetraene

C8H7Cl — CID 12579402

About chlorocyclooctatetraene

chlorocyclooctatetraene (PubChem CID 12579402) has the molecular formula C8H7Cl and a molecular weight of 138.60 g/mol. Its IUPAC name is chlorocyclooctatetraene.

Molecular Properties

• Compound Name: chlorocyclooctatetraene
• PubChem CID: 12579402
• Molecular Formula: C8H7Cl
• Molecular Weight: 138.60 g/mol
• Exact Mass: 138.02
• IUPAC Name: chlorocyclooctatetraene
• SMILES: ClC1=C/C=C\C=C/C=C\1
• InChI: InChI=1S/C8H7Cl/c9-8-6-4-2-1-3-5-7-8/h1-7H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6+,8-7+
• InChIKey: YNAPMFCJCFZGLJ-NPLFUSBWSA-N
• XLogP: 2.79
• TPSA: 0.00 Ų
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	138.60
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of chlorocyclooctatetraene?

The IUPAC name of chlorocyclooctatetraene (CID 12579402) is chlorocyclooctatetraene.

What is the SMILES notation for chlorocyclooctatetraene?

The canonical SMILES for chlorocyclooctatetraene is ClC1=C/C=C\C=C/C=C\1.

What is the InChIKey of chlorocyclooctatetraene?

The InChIKey is YNAPMFCJCFZGLJ-NPLFUSBWSA-N. The full InChI is InChI=1S/C8H7Cl/c9-8-6-4-2-1-3-5-7-8/h1-7H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6+,8-7+.

What are the key properties of chlorocyclooctatetraene?

chlorocyclooctatetraene has a molecular weight of 138.60 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for chlorocyclooctatetraene is sourced from PubChem (CID 12579402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).