prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate

C53H62N2O10 — CID 70041676

About prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate

prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 70041676) has the molecular formula C53H62N2O10 and a molecular weight of 887.08 g/mol. Its IUPAC name is prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

• Compound Name: prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate
• PubChem CID: 70041676
• Molecular Formula: C53H62N2O10
• Molecular Weight: 887.08 g/mol
• Exact Mass: 886.44
• IUPAC Name: prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate
• SMILES: C=CCOC(=O)COCCOCCOCCN(CCOCCOCCOCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C53H62N2O10/c1-2-29-64-51(56)42-63-40-39-62-38-35-60-32-28-55(52(57)65-41-50-48-24-14-12-22-46(48)47-23-13-15-25-49(47)50)27-31-59-34-37-61-36-33-58-30-26-54-53(43-16-6-3-7-17-43,44-18-8-4-9-19-44)45-20-10-5-11-21-45/h2-25,50,54H,1,26-42H2
• InChIKey: QHRUAUJMTAATIX-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 123.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 31
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	887.08
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate?

The IUPAC name of prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate (CID 70041676) is prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate.

What is the SMILES notation for prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate?

The canonical SMILES for prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate is C=CCOC(=O)COCCOCCOCCN(CCOCCOCCOCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate?

The InChIKey is QHRUAUJMTAATIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H62N2O10/c1-2-29-64-51(56)42-63-40-39-62-38-35-60-32-28-55(52(57)65-41-50-48-24-14-12-22-46(48)47-23-13-15-25-49(47)50)27-31-59-34-37-61-36-33-58-30-26-54-53(43-16-6-3-7-17-43,44-18-8-4-9-19-44)45-20-10-5-11-21-45/h2-25,50,54H,1,26-42H2.

What are the key properties of prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate?

prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 887.08 g/mol, XLogP of 7.65, 31 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(tritylamino)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 70041676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).