1,2-dipropyl-cyclobutene

C₁₀H₁₈ — CID 10630563

About 1,2-dipropyl-cyclobutene

1,2-dipropyl-cyclobutene (PubChem CID 10630563) has the molecular formula C₁₀H₁₈ and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2-dipropylcyclobutene.

Molecular Properties

• Compound Name: 1,2-dipropyl-cyclobutene
• PubChem CID: 10630563
• Molecular Formula: C₁₀H₁₈
• Molecular Weight: 138.25 g/mol
• Exact Mass: 138.14
• IUPAC Name: 1,2-dipropylcyclobutene
• SMILES: CCCC1=C(CCC)CC1
• InChI: InChI=1S/C10H18/c1-3-5-9-7-8-10(9)6-4-2/h3-8H2,1-2H3
• InChIKey: PEJOILLWOMQSPL-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	138.25
LogP ≤ 5	3.68
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 1,2-dipropyl-cyclobutene?

The IUPAC name of 1,2-dipropyl-cyclobutene (CID 10630563) is 1,2-dipropylcyclobutene.

What is the SMILES notation for 1,2-dipropyl-cyclobutene?

The canonical SMILES for 1,2-dipropyl-cyclobutene is CCCC1=C(CCC)CC1.

What is the InChIKey of 1,2-dipropyl-cyclobutene?

The InChIKey is PEJOILLWOMQSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-5-9-7-8-10(9)6-4-2/h3-8H2,1-2H3.

What are the key properties of 1,2-dipropyl-cyclobutene?

1,2-dipropyl-cyclobutene has a molecular weight of 138.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dipropyl-cyclobutene is sourced from PubChem (CID 10630563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10630563 — identifiers, structure, computed properties (public domain)

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