[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate

C80H62N2O10 — CID 58319772

About [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate

[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate (PubChem CID 58319772) has the molecular formula C80H62N2O10 and a molecular weight of 1211.38 g/mol. Its IUPAC name is [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate.

Molecular Properties

• Compound Name: [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate
• PubChem CID: 58319772
• Molecular Formula: C80H62N2O10
• Molecular Weight: 1211.38 g/mol
• Exact Mass: 1210.44
• IUPAC Name: [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate
• SMILES: C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N(CCC(=O)OCC1CC2CC1C1CC(COC(=O)C=C)CC21)C(=O)C(=C)C)N(CCC(=O)OCC1CC2CC1C1CC(COC(=O)C=C)CC21)C(=O)C(=C)C
• InChI: InChI=1S/C80H62N2O10/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-74(81(79(87)60(4)5)46-44-77(85)91-58-66-52-64-54-70(66)72-50-62(48-68(64)72)56-89-75(83)9-2)82(80(88)61(6)7)47-45-78(86)92-59-67-53-65-55-71(67)73-51-63(49-69(65)73)57-90-76(84)10-3/h9-10,62-73H,1-4,6,44-59H2,5,7H3
• InChIKey: BGGZTALURAMUKE-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 145.82 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1211.38
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate?

The IUPAC name of [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate (CID 58319772) is [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate.

What is the SMILES notation for [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate?

The canonical SMILES for [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N(CCC(=O)OCC1CC2CC1C1CC(COC(=O)C=C)CC21)C(=O)C(=C)C)N(CCC(=O)OCC1CC2CC1C1CC(COC(=O)C=C)CC21)C(=O)C(=C)C.

What is the InChIKey of [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate?

The InChIKey is BGGZTALURAMUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N2O10/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-74(81(79(87)60(4)5)46-44-77(85)91-58-66-52-64-54-70(66)72-50-62(48-68(64)72)56-89-75(83)9-2)82(80(88)61(6)7)47-45-78(86)92-59-67-53-65-55-71(67)73-51-63(49-69(65)73)57-90-76(84)10-3/h9-10,62-73H,1-4,6,44-59H2,5,7H3.

What are the key properties of [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate?

[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate has a molecular weight of 1211.38 g/mol, XLogP of 11.46, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl 3-[2-methylprop-2-enoyl-[1-[2-methylprop-2-enoyl-[3-oxo-3-[[4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]amino]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]amino]propanoate is sourced from PubChem (CID 58319772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).