methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate

C110H134O41 — CID 157115746

About methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate

methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate (PubChem CID 157115746) has the molecular formula C110H134O41 and a molecular weight of 2112.24 g/mol. Its IUPAC name is methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate
• PubChem CID: 157115746
• Molecular Formula: C110H134O41
• Molecular Weight: 2112.24 g/mol
• Exact Mass: 2110.84
• IUPAC Name: methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate
• SMILES: C/C=C/C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1(C(C)C)C2CCC3C(C(=O)OC31)C2C(=O)OC.C=C(C)C(=O)OC1(C(C)C)C2CCC3C(C2)C(=O)OC31.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(CC(=O)OC)C(=O)OC1C2CC3C(=O)OC1C3C2.COOC/C=C\C(=O)OC1C2CC3C(=O)OC1C3C2
• InChI: InChI=1S/C18H24O6.C16H22O4.2C14H16O6.C13H16O6.2C12H14O4.C11H12O5/c1-8(2)15(19)24-18(9(3)4)11-7-6-10-12(13(11)16(20)22-5)17(21)23-14(10)18;1-8(2)14(17)20-16(9(3)4)10-5-6-11-12(7-10)15(18)19-13(11)16;1-6(3-10(15)18-2)13(16)19-11-7-4-8-9(5-7)14(17)20-12(8)11;1-5(2)12(15)19-10-6-4-7-9(8(6)13(16)18-3)14(17)20-11(7)10;1-16-17-4-2-3-10(14)18-11-7-5-8-9(6-7)13(15)19-12(8)11;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-2-3-9(13)15-10-6-4-7-8(5-6)12(14)16-11(7)10;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13/h9-14H,1,6-7H2,2-5H3;9-13H,1,5-7H2,2-4H3;7-9,11-12H,1,3-5H2,2H3;6-11H,1,4H2,2-3H3;2-3,7-9,11-12H,4-6H2,1H3;6-10H,1,3-4H2,2H3;2-3,6-8,10-11H,4-5H2,1H3;5-9H,1,3H2,2H3/b;;;;3-2-;;3-2+
• InChIKey: AHJNWQADVHUGGC-WSZKEVLKSA-N
• XLogP: 8.31
• TPSA: 527.39 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2112.24
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate?

The IUPAC name of methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate (CID 157115746) is methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate.

What is the SMILES notation for methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate?

The canonical SMILES for methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate is C/C=C/C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1(C(C)C)C2CCC3C(C(=O)OC31)C2C(=O)OC.C=C(C)C(=O)OC1(C(C)C)C2CCC3C(C2)C(=O)OC31.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(CC(=O)OC)C(=O)OC1C2CC3C(=O)OC1C3C2.COOC/C=C\C(=O)OC1C2CC3C(=O)OC1C3C2.

What is the InChIKey of methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate?

The InChIKey is AHJNWQADVHUGGC-WSZKEVLKSA-N. The full InChI is InChI=1S/C18H24O6.C16H22O4.2C14H16O6.C13H16O6.2C12H14O4.C11H12O5/c1-8(2)15(19)24-18(9(3)4)11-7-6-10-12(13(11)16(20)22-5)17(21)23-14(10)18;1-8(2)14(17)20-16(9(3)4)10-5-6-11-12(7-10)15(18)19-13(11)16;1-6(3-10(15)18-2)13(16)19-11-7-4-8-9(5-7)14(17)20-12(8)11;1-5(2)12(15)19-10-6-4-7-9(8(6)13(16)18-3)14(17)20-11(7)10;1-16-17-4-2-3-10(14)18-11-7-5-8-9(6-7)13(15)19-12(8)11;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-2-3-9(13)15-10-6-4-7-8(5-6)12(14)16-11(7)10;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13/h9-14H,1,6-7H2,2-5H3;9-13H,1,5-7H2,2-4H3;7-9,11-12H,1,3-5H2,2H3;6-11H,1,4H2,2-3H3;2-3,7-9,11-12H,4-6H2,1H3;6-10H,1,3-4H2,2H3;2-3,6-8,10-11H,4-5H2,1H3;5-9H,1,3H2,2H3/b;;;;3-2-;;3-2+;.

What are the key properties of methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate?

methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate has a molecular weight of 2112.24 g/mol, XLogP of 8.31, 25 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decane-10-carboxylate;4-O-methyl 1-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylidenebutanedioate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (E)-but-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) (Z)-4-methylperoxybut-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-2-propan-2-yl-4-oxatricyclo[4.3.1.03,7]decan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 157115746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).