(4R)-1-(1-methoxyethyl)-4-methylcyclohexene

C₁₀H₁₈O — CID 155434955

About (4R)-1-(1-methoxyethyl)-4-methylcyclohexene

(4R)-1-(1-methoxyethyl)-4-methylcyclohexene (PubChem CID 155434955) has the molecular formula C₁₀H₁₈O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4R)-1-(1-methoxyethyl)-4-methylcyclohexene.

Molecular Properties

• Compound Name: (4R)-1-(1-methoxyethyl)-4-methylcyclohexene
• PubChem CID: 155434955
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25 g/mol
• Exact Mass: 154.14
• IUPAC Name: (4R)-1-(1-methoxyethyl)-4-methylcyclohexene
• SMILES: COC(C)C1=CC[C@H](C)CC1
• InChI: InChI=1S/C10H18O/c1-8-4-6-10(7-5-8)9(2)11-3/h6,8-9H,4-5,7H2,1-3H3/t8-,9?/m0/s1
• InChIKey: JGRZJAYCLIWFLL-IENPIDJESA-N
• XLogP: 2.77
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.25
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1-methoxyethyl)-4-methylcyclohexene?

The IUPAC name of (4R)-1-(1-methoxyethyl)-4-methylcyclohexene (CID 155434955) is (4R)-1-(1-methoxyethyl)-4-methylcyclohexene.

What is the SMILES notation for (4R)-1-(1-methoxyethyl)-4-methylcyclohexene?

The canonical SMILES for (4R)-1-(1-methoxyethyl)-4-methylcyclohexene is COC(C)C1=CC[C@H](C)CC1.

What is the InChIKey of (4R)-1-(1-methoxyethyl)-4-methylcyclohexene?

The InChIKey is JGRZJAYCLIWFLL-IENPIDJESA-N. The full InChI is InChI=1S/C10H18O/c1-8-4-6-10(7-5-8)9(2)11-3/h6,8-9H,4-5,7H2,1-3H3/t8-,9?/m0/s1.

What are the key properties of (4R)-1-(1-methoxyethyl)-4-methylcyclohexene?

(4R)-1-(1-methoxyethyl)-4-methylcyclohexene has a molecular weight of 154.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-(1-methoxyethyl)-4-methylcyclohexene is sourced from PubChem (CID 155434955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155434955 — identifiers, structure, computed properties (public domain)

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