1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane

C₁₅H₂₆O₂ — CID 155615817

About 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane

1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane (PubChem CID 155615817) has the molecular formula C₁₅H₂₆O₂ and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane.

Molecular Properties

• Compound Name: 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane
• PubChem CID: 155615817
• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.19
• IUPAC Name: 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane
• SMILES: CCC1CCC(COC2(OC)C=CCC2)CC1
• InChI: InChI=1S/C15H26O2/c1-3-13-6-8-14(9-7-13)12-17-15(16-2)10-4-5-11-15/h4,10,13-14H,3,5-9,11-12H2,1-2H3
• InChIKey: TYRMIZIXDSIGHL-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.37
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane?

The IUPAC name of 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane (CID 155615817) is 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane.

What is the SMILES notation for 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane?

The canonical SMILES for 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane is CCC1CCC(COC2(OC)C=CCC2)CC1.

What is the InChIKey of 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane?

The InChIKey is TYRMIZIXDSIGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-13-6-8-14(9-7-13)12-17-15(16-2)10-4-5-11-15/h4,10,13-14H,3,5-9,11-12H2,1-2H3.

What are the key properties of 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane?

1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane has a molecular weight of 238.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane is sourced from PubChem (CID 155615817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155615817 — identifiers, structure, computed properties (public domain)

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