Trans-1-Methoxycyclododecene

C₁₃H₂₄O — CID 5463037

About Trans-1-Methoxycyclododecene

Trans-1-Methoxycyclododecene (PubChem CID 5463037) has the molecular formula C₁₃H₂₄O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1E)-1-methoxycyclododecene.

Molecular Properties

• Compound Name: Trans-1-Methoxycyclododecene
• PubChem CID: 5463037
• Molecular Formula: C₁₃H₂₄O
• Molecular Weight: 196.33 g/mol
• Exact Mass: 196.18
• IUPAC Name: (1E)-1-methoxycyclododecene
• SMILES: CO/C1=C/CCCCCCCCCC1
• InChI: InChI=1S/C13H24O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3/b13-11+
• InChIKey: QKXCGPJJHMULFJ-ACCUITESSA-N
• XLogP: 4.43
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	196.33
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Trans-1-Methoxycyclododecene?

The IUPAC name of Trans-1-Methoxycyclododecene (CID 5463037) is (1E)-1-methoxycyclododecene.

What is the SMILES notation for Trans-1-Methoxycyclododecene?

The canonical SMILES for Trans-1-Methoxycyclododecene is CO/C1=C/CCCCCCCCCC1.

What is the InChIKey of Trans-1-Methoxycyclododecene?

The InChIKey is QKXCGPJJHMULFJ-ACCUITESSA-N. The full InChI is InChI=1S/C13H24O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3/b13-11+.

What are the key properties of Trans-1-Methoxycyclododecene?

Trans-1-Methoxycyclododecene has a molecular weight of 196.33 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Trans-1-Methoxycyclododecene is sourced from PubChem (CID 5463037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5463037 — identifiers, structure, computed properties (public domain)

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