Prop-1-enoxycyclooctane

C₁₁H₂₀O — CID 151595981

About Prop-1-enoxycyclooctane

Prop-1-enoxycyclooctane (PubChem CID 151595981) has the molecular formula C₁₁H₂₀O and a molecular weight of 168.28 g/mol. Its IUPAC name is prop-1-enoxycyclooctane.

Molecular Properties

• Compound Name: Prop-1-enoxycyclooctane
• PubChem CID: 151595981
• Molecular Formula: C₁₁H₂₀O
• Molecular Weight: 168.28 g/mol
• Exact Mass: 168.15
• IUPAC Name: prop-1-enoxycyclooctane
• SMILES: CC=COC1CCCCCCC1
• InChI: InChI=1S/C11H20O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h2,10-11H,3-9H2,1H3
• InChIKey: QJLZCRGDOZUVAS-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	168.28
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Prop-1-enoxycyclooctane?

The IUPAC name of Prop-1-enoxycyclooctane (CID 151595981) is prop-1-enoxycyclooctane.

What is the SMILES notation for Prop-1-enoxycyclooctane?

The canonical SMILES for Prop-1-enoxycyclooctane is CC=COC1CCCCCCC1.

What is the InChIKey of Prop-1-enoxycyclooctane?

The InChIKey is QJLZCRGDOZUVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h2,10-11H,3-9H2,1H3.

What are the key properties of Prop-1-enoxycyclooctane?

Prop-1-enoxycyclooctane has a molecular weight of 168.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Prop-1-enoxycyclooctane is sourced from PubChem (CID 151595981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151595981 — identifiers, structure, computed properties (public domain)

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