[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C32H53N3O12 — CID 169491085

About [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 169491085) has the molecular formula C32H53N3O12 and a molecular weight of 671.78 g/mol. Its IUPAC name is [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 169491085
• Molecular Formula: C32H53N3O12
• Molecular Weight: 671.78 g/mol
• Exact Mass: 671.36
• IUPAC Name: [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC1CC/C=C\CCC1
• InChI: InChI=1S/C32H53N3O12/c36-29(10-13-35-30(37)8-9-31(35)38)33-11-14-40-16-18-42-20-22-44-24-26-46-27-25-45-23-21-43-19-17-41-15-12-34-32(39)47-28-6-4-2-1-3-5-7-28/h1-2,8-9,28H,3-7,10-27H2,(H,33,36)(H,34,39)/b2-1-
• InChIKey: MUPTWZQISMQUAU-UPHRSURJSA-N
• XLogP: 1.15
• TPSA: 169.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.78
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 169491085) is [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC1CC/C=C\CCC1.

What is the InChIKey of [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is MUPTWZQISMQUAU-UPHRSURJSA-N. The full InChI is InChI=1S/C32H53N3O12/c36-29(10-13-35-30(37)8-9-31(35)38)33-11-14-40-16-18-42-20-22-44-24-26-46-27-25-45-23-21-43-19-17-41-15-12-34-32(39)47-28-6-4-2-1-3-5-7-28/h1-2,8-9,28H,3-7,10-27H2,(H,33,36)(H,34,39)/b2-1-.

What are the key properties of [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 671.78 g/mol, XLogP of 1.15, 28 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 169491085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).