Methallylcycloheptane

C₁₁H₂₀ — CID 55275784

About Methallylcycloheptane

Methallylcycloheptane (PubChem CID 55275784) has the molecular formula C₁₁H₂₀ and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-methylprop-2-enylcycloheptane.

Molecular Properties

• Compound Name: Methallylcycloheptane
• PubChem CID: 55275784
• Molecular Formula: C₁₁H₂₀
• Molecular Weight: 152.28 g/mol
• Exact Mass: 152.16
• IUPAC Name: 2-methylprop-2-enylcycloheptane
• SMILES: C=C(C)CC1CCCCCC1
• InChI: InChI=1S/C11H20/c1-10(2)9-11-7-5-3-4-6-8-11/h11H,1,3-9H2,2H3
• InChIKey: WMWXAPZVWKJYDO-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.28
LogP ≤ 5	3.92
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 Methallylcycloheptane?

The IUPAC name of Methallylcycloheptane (CID 55275784) is 2-methylprop-2-enylcycloheptane.

What is the SMILES notation for Methallylcycloheptane?

The canonical SMILES for Methallylcycloheptane is C=C(C)CC1CCCCCC1.

What is the InChIKey of Methallylcycloheptane?

The InChIKey is WMWXAPZVWKJYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-10(2)9-11-7-5-3-4-6-8-11/h11H,1,3-9H2,2H3.

What are the key properties of Methallylcycloheptane?

Methallylcycloheptane has a molecular weight of 152.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Methallylcycloheptane is sourced from PubChem (CID 55275784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55275784 — identifiers, structure, computed properties (public domain)

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