2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate

C59H80O21 — CID 162064612

About 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate

2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate (PubChem CID 162064612) has the molecular formula C59H80O21 and a molecular weight of 1125.27 g/mol. Its IUPAC name is 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate.

Molecular Properties

• Compound Name: 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
• PubChem CID: 162064612
• Molecular Formula: C59H80O21
• Molecular Weight: 1125.27 g/mol
• Exact Mass: 1124.52
• IUPAC Name: 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
• SMILES: C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC1CC2C3CC(COC(=O)C=C)C(C3)C2C1.C=CC(=O)OCCCCCCOC(=O)C=C
• InChI: InChI=1S/C18H24O4.C15H20O6.C14H18O7.C12H18O4/c1-3-17(19)21-9-11-5-14-12-7-13(10-22-18(20)4-2)15(8-12)16(14)6-11;1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3;1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3;1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4,11-16H,1-2,5-10H2;5-7H,1-3,8-11H2,4H3;4-6,15H,1-3,7-10H2;3-4H,1-2,5-10H2
• InChIKey: ZAHFCSSMNJRJIB-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 283.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 35
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1125.27
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?

The IUPAC name of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate (CID 162064612) is 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate.

What is the SMILES notation for 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?

The canonical SMILES for 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate is C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC1CC2C3CC(COC(=O)C=C)C(C3)C2C1.C=CC(=O)OCCCCCCOC(=O)C=C.

What is the InChIKey of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?

The InChIKey is ZAHFCSSMNJRJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4.C15H20O6.C14H18O7.C12H18O4/c1-3-17(19)21-9-11-5-14-12-7-13(10-22-18(20)4-2)15(8-12)16(14)6-11;1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3;1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3;1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4,11-16H,1-2,5-10H2;5-7H,1-3,8-11H2,4H3;4-6,15H,1-3,7-10H2;3-4H,1-2,5-10H2.

What are the key properties of 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate?

2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate has a molecular weight of 1125.27 g/mol, XLogP of 6.47, 35 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate is sourced from PubChem (CID 162064612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).