2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate

C35H70O7 — CID 170658328

About 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate

2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate (PubChem CID 170658328) has the molecular formula C35H70O7 and a molecular weight of 602.94 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate
• PubChem CID: 170658328
• Molecular Formula: C35H70O7
• Molecular Weight: 602.94 g/mol
• Exact Mass: 602.51
• IUPAC Name: 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate
• SMILES: CCCCCCCCCCCCOC[C@H](COCCC(=O)OCCOCCOC)OCCCCCCCCCCCC
• InChI: InChI=1S/C35H70O7/c1-4-6-8-10-12-14-16-18-20-22-25-39-32-34(41-26-23-21-19-17-15-13-11-9-7-5-2)33-40-27-24-35(36)42-31-30-38-29-28-37-3/h34H,4-33H2,1-3H3/t34-/m1/s1
• InChIKey: JORQRGJGXKJTTP-UUWRZZSWSA-N
• XLogP: 8.84
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 36
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.94
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate?

The IUPAC name of 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate (CID 170658328) is 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate.

What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate?

The canonical SMILES for 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate is CCCCCCCCCCCCOC[C@H](COCCC(=O)OCCOCCOC)OCCCCCCCCCCCC.

What is the InChIKey of 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate?

The InChIKey is JORQRGJGXKJTTP-UUWRZZSWSA-N. The full InChI is InChI=1S/C35H70O7/c1-4-6-8-10-12-14-16-18-20-22-25-39-32-34(41-26-23-21-19-17-15-13-11-9-7-5-2)33-40-27-24-35(36)42-31-30-38-29-28-37-3/h34H,4-33H2,1-3H3/t34-/m1/s1.

What are the key properties of 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate?

2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate has a molecular weight of 602.94 g/mol, XLogP of 8.84, 36 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate is sourced from PubChem (CID 170658328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).