benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate

C30H51NO10 — CID 158392584

About benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate

benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate (PubChem CID 158392584) has the molecular formula C30H51NO10 and a molecular weight of 585.74 g/mol. Its IUPAC name is benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate
• PubChem CID: 158392584
• Molecular Formula: C30H51NO10
• Molecular Weight: 585.74 g/mol
• Exact Mass: 585.35
• IUPAC Name: benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate
• SMILES: COCCOCCOCCOCCOCCOCCOCC(=O)CCCCC[C@@H](C)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C30H51NO10/c1-27(31-30(33)41-25-28-10-6-4-7-11-28)9-5-3-8-12-29(32)26-40-24-23-39-22-21-38-20-19-37-18-17-36-16-15-35-14-13-34-2/h4,6-7,10-11,27H,3,5,8-9,12-26H2,1-2H3,(H,31,33)/t27-/m1/s1
• InChIKey: GXDLMHIKBVAFAF-HHHXNRCGSA-N
• XLogP: 3.57
• TPSA: 120.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.74
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate?

The IUPAC name of benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate (CID 158392584) is benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate?

The canonical SMILES for benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate is COCCOCCOCCOCCOCCOCCOCC(=O)CCCCC[C@@H](C)NC(=O)OCc1ccccc1.

What is the InChIKey of benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate?

The InChIKey is GXDLMHIKBVAFAF-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H51NO10/c1-27(31-30(33)41-25-28-10-6-4-7-11-28)9-5-3-8-12-29(32)26-40-24-23-39-22-21-38-20-19-37-18-17-36-16-15-35-14-13-34-2/h4,6-7,10-11,27H,3,5,8-9,12-26H2,1-2H3,(H,31,33)/t27-/m1/s1.

What are the key properties of benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate?

benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate has a molecular weight of 585.74 g/mol, XLogP of 3.57, 29 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2R)-9-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-8-oxononan-2-yl]carbamate is sourced from PubChem (CID 158392584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).