[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid

C90H108O44 — CID 158595131

About [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid

[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 158595131) has the molecular formula C90H108O44 and a molecular weight of 1893.81 g/mol. Its IUPAC name is [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

• Compound Name: [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid
• PubChem CID: 158595131
• Molecular Formula: C90H108O44
• Molecular Weight: 1893.81 g/mol
• Exact Mass: 1892.62
• IUPAC Name: [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid
• SMILES: C=C(C)C(=O)OC1(C)CCC2CC1OC2=O.C=C(C)C(=O)OCC(=O)OC1(C)CCC2CC1OC2=O.C=C(C)C(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O.C=CC(=O)OC1(C)CCC2CC1OC2=O.C=CC(=O)OCC(=O)OC1(C)CCC2CC1OC2=O.C=CC(=O)OCC(=O)OC1C2CC(CC1C(=O)O)C(=O)O2.C=CC(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O
• InChI: InChI=1S/C14H16O8.C14H18O6.2C13H14O8.C13H16O6.C12H16O4.C11H14O4/c1-8(2)12(17)19-6-11(16)21-10-4-3-9-5-14(10,20-7-15)22-13(9)18;1-8(2)12(16)18-7-11(15)20-14(3)5-4-9-6-10(14)19-13(9)17;1-2-9(14)19-5-10(15)21-11-7(12(16)17)3-6-4-8(11)20-13(6)18;1-2-10(15)18-6-11(16)20-9-4-3-8-5-13(9,19-7-14)21-12(8)17;1-3-10(14)17-7-11(15)19-13(2)5-4-8-6-9(13)18-12(8)16;1-7(2)10(13)16-12(3)5-4-8-6-9(12)15-11(8)14;1-3-9(12)15-11(2)5-4-7-6-8(11)14-10(7)13/h7,9-10H,1,3-6H2,2H3;9-10H,1,4-7H2,2-3H3;2,6-8,11H,1,3-5H2,(H,16,17);2,7-9H,1,3-6H2;3,8-9H,1,4-7H2,2H3;8-9H,1,4-6H2,2-3H3;3,7-8H,1,4-6H2,2H3
• InChIKey: HUXYKCAMYRMOFC-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 589.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 43
• Rotatable Bonds: 29
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1893.81
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid?

The IUPAC name of [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid (CID 158595131) is [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid.

What is the SMILES notation for [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid?

The canonical SMILES for [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid is C=C(C)C(=O)OC1(C)CCC2CC1OC2=O.C=C(C)C(=O)OCC(=O)OC1(C)CCC2CC1OC2=O.C=C(C)C(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O.C=CC(=O)OC1(C)CCC2CC1OC2=O.C=CC(=O)OCC(=O)OC1(C)CCC2CC1OC2=O.C=CC(=O)OCC(=O)OC1C2CC(CC1C(=O)O)C(=O)O2.C=CC(=O)OCC(=O)OC1CCC2CC1(OC=O)OC2=O.

What is the InChIKey of [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid?

The InChIKey is HUXYKCAMYRMOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O8.C14H18O6.2C13H14O8.C13H16O6.C12H16O4.C11H14O4/c1-8(2)12(17)19-6-11(16)21-10-4-3-9-5-14(10,20-7-15)22-13(9)18;1-8(2)12(16)18-7-11(15)20-14(3)5-4-9-6-10(14)19-13(9)17;1-2-9(14)19-5-10(15)21-11-7(12(16)17)3-6-4-8(11)20-13(6)18;1-2-10(15)18-6-11(16)20-9-4-3-8-5-13(9,19-7-14)21-12(8)17;1-3-10(14)17-7-11(15)19-13(2)5-4-8-6-9(13)18-12(8)16;1-7(2)10(13)16-12(3)5-4-8-6-9(12)15-11(8)14;1-3-9(12)15-11(2)5-4-7-6-8(11)14-10(7)13/h7,9-10H,1,3-6H2,2H3;9-10H,1,4-7H2,2-3H3;2,6-8,11H,1,3-5H2,(H,16,17);2,7-9H,1,3-6H2;3,8-9H,1,4-7H2,2H3;8-9H,1,4-6H2,2-3H3;3,7-8H,1,4-6H2,2H3.

What are the key properties of [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid?

[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 1893.81 g/mol, XLogP of 4.43, 29 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-formyloxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;7-oxo-4-(2-prop-2-enoyloxyacetyl)oxy-6-oxabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 158595131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).