2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane

C25H44O4 — CID 170082901

About 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane

2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane (PubChem CID 170082901) has the molecular formula C25H44O4 and a molecular weight of 408.62 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane.

Molecular Properties

• Compound Name: 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane
• PubChem CID: 170082901
• Molecular Formula: C25H44O4
• Molecular Weight: 408.62 g/mol
• Exact Mass: 408.32
• IUPAC Name: 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane
• SMILES: CC(C)(C1CCC(CCOCC2CO2)CC1)C1CCC(CCOCC2CO2)CC1
• InChI: InChI=1S/C25H44O4/c1-25(2,21-7-3-19(4-8-21)11-13-26-15-23-17-28-23)22-9-5-20(6-10-22)12-14-27-16-24-18-29-24/h19-24H,3-18H2,1-2H3
• InChIKey: RICTXQISYGLPET-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 43.52 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.62
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane?

The IUPAC name of 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane (CID 170082901) is 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane.

What is the SMILES notation for 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane?

The canonical SMILES for 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane is CC(C)(C1CCC(CCOCC2CO2)CC1)C1CCC(CCOCC2CO2)CC1.

What is the InChIKey of 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane?

The InChIKey is RICTXQISYGLPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O4/c1-25(2,21-7-3-19(4-8-21)11-13-26-15-23-17-28-23)22-9-5-20(6-10-22)12-14-27-16-24-18-29-24/h19-24H,3-18H2,1-2H3.

What are the key properties of 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane?

2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane has a molecular weight of 408.62 g/mol, XLogP of 5.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane is sourced from PubChem (CID 170082901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).