Prop-1-en-2-ylcycloheptane

C₁₀H₁₈ — CID 18427153

About Prop-1-en-2-ylcycloheptane

Prop-1-en-2-ylcycloheptane (PubChem CID 18427153) has the molecular formula C₁₀H₁₈ and a molecular weight of 138.25 g/mol. Its IUPAC name is prop-1-en-2-ylcycloheptane.

Molecular Properties

• Compound Name: Prop-1-en-2-ylcycloheptane
• PubChem CID: 18427153
• Molecular Formula: C₁₀H₁₈
• Molecular Weight: 138.25 g/mol
• Exact Mass: 138.14
• IUPAC Name: prop-1-en-2-ylcycloheptane
• SMILES: C=C(C)C1CCCCCC1
• InChI: InChI=1S/C10H18/c1-9(2)10-7-5-3-4-6-8-10/h10H,1,3-8H2,2H3
• InChIKey: MJOWUJFMBMQAFS-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	138.25
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Prop-1-en-2-ylcycloheptane?

The IUPAC name of Prop-1-en-2-ylcycloheptane (CID 18427153) is prop-1-en-2-ylcycloheptane.

What is the SMILES notation for Prop-1-en-2-ylcycloheptane?

The canonical SMILES for Prop-1-en-2-ylcycloheptane is C=C(C)C1CCCCCC1.

What is the InChIKey of Prop-1-en-2-ylcycloheptane?

The InChIKey is MJOWUJFMBMQAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9(2)10-7-5-3-4-6-8-10/h10H,1,3-8H2,2H3.

What are the key properties of Prop-1-en-2-ylcycloheptane?

Prop-1-en-2-ylcycloheptane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Prop-1-en-2-ylcycloheptane is sourced from PubChem (CID 18427153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18427153 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.