2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate

C24H38O9 — CID 101392875

About 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate

2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate (PubChem CID 101392875) has the molecular formula C24H38O9 and a molecular weight of 470.56 g/mol. Its IUPAC name is 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
• PubChem CID: 101392875
• Molecular Formula: C24H38O9
• Molecular Weight: 470.56 g/mol
• Exact Mass: 470.25
• IUPAC Name: 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
• SMILES: CC1(C)OCC(C)(C(=O)OCCOCCOCCOCCOC(=O)C2CC3C=CC2C3)CO1
• InChI: InChI=1S/C24H38O9/c1-23(2)32-16-24(3,17-33-23)22(26)31-13-11-29-9-7-27-6-8-28-10-12-30-21(25)20-15-18-4-5-19(20)14-18/h4-5,18-20H,6-17H2,1-3H3
• InChIKey: HUYCHDASTCVUKJ-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.56
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate?

The IUPAC name of 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate (CID 101392875) is 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate.

What is the SMILES notation for 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate?

The canonical SMILES for 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate is CC1(C)OCC(C)(C(=O)OCCOCCOCCOCCOC(=O)C2CC3C=CC2C3)CO1.

What is the InChIKey of 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate?

The InChIKey is HUYCHDASTCVUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O9/c1-23(2)32-16-24(3,17-33-23)22(26)31-13-11-29-9-7-27-6-8-28-10-12-30-21(25)20-15-18-4-5-19(20)14-18/h4-5,18-20H,6-17H2,1-3H3.

What are the key properties of 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate?

2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate has a molecular weight of 470.56 g/mol, XLogP of 2.12, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate is sourced from PubChem (CID 101392875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).