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

C39H56N2O12 — CID 70041299

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

prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 70041299) has the molecular formula C39H56N2O12 and a molecular weight of 744.88 g/mol. Its IUPAC name is prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]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-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate
• PubChem CID: 70041299
• Molecular Formula: C39H56N2O12
• Molecular Weight: 744.88 g/mol
• Exact Mass: 744.38
• IUPAC Name: prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate
• SMILES: C=CCOC(=O)COCCOCCOCCN(CCOCCOCCOCCNC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C39H56N2O12/c1-5-17-51-36(42)30-50-28-27-49-26-23-47-20-16-41(15-19-46-22-25-48-24-21-45-18-14-40-37(43)53-39(2,3)4)38(44)52-29-35-33-12-8-6-10-31(33)32-11-7-9-13-34(32)35/h5-13,35H,1,14-30H2,2-4H3,(H,40,43)
• InChIKey: PDQDKZDRSYOBAL-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 149.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.88
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(2-methylpropan-2-yl)oxycarbonylamino]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-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate (CID 70041299) is prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]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-[(2-methylpropan-2-yl)oxycarbonylamino]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-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate is C=CCOC(=O)COCCOCCOCCN(CCOCCOCCOCCNC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21.

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

The InChIKey is PDQDKZDRSYOBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H56N2O12/c1-5-17-51-36(42)30-50-28-27-49-26-23-47-20-16-41(15-19-46-22-25-48-24-21-45-18-14-40-37(43)53-39(2,3)4)38(44)52-29-35-33-12-8-6-10-31(33)32-11-7-9-13-34(32)35/h5-13,35H,1,14-30H2,2-4H3,(H,40,43).

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

prop-2-enyl 2-[2-[2-[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 744.88 g/mol, XLogP of 4.59, 27 rotatable bonds, 1 hydrogen bond donors, and 12 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-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 70041299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).