(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

C102H130O36 — CID 158466304

About (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (PubChem CID 158466304) has the molecular formula C102H130O36 and a molecular weight of 1932.13 g/mol. Its IUPAC name is (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.

Molecular Properties

• Compound Name: (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
• PubChem CID: 158466304
• Molecular Formula: C102H130O36
• Molecular Weight: 1932.13 g/mol
• Exact Mass: 1930.83
• IUPAC Name: (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
• SMILES: C=C(C)C(=O)OC(C)(C)C(=O)OC1(C)C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC(C)(C)C(=O)OC1C2CC3C(=O)OC1(C)C3C2.C=C(C)C(=O)OC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC(C)(C)C(=O)OC1C2OC(=O)C3CC1(C)CC32.C=C(C)C(=O)OC1C2CC3CC2C(=O)OC31C.C=C(C)C(=O)OC1CC2CCC1(C)OC2=O.C=CC(=O)OC1CCC2CC1OC2=O
• InChI: InChI=1S/3C17H22O6.C16H20O6.C13H16O4.C12H16O4.C10H12O4/c1-8(2)13(18)23-16(3,4)15(20)22-12-11-9-6-17(12,5)7-10(9)14(19)21-11;1-8(2)13(18)22-16(3,4)15(20)23-17(5)9-6-10-11(7-9)14(19)21-12(10)17;1-8(2)13(18)22-16(3,4)15(20)21-12-9-6-10-11(7-9)17(12,5)23-14(10)19;1-7(2)13(17)22-16(3,4)15(19)21-11-8-5-9-10(6-8)14(18)20-12(9)11;1-6(2)11(14)16-10-8-4-7-5-9(8)12(15)17-13(7,10)3;1-7(2)10(13)15-9-6-8-4-5-12(9,3)16-11(8)14;1-2-9(11)13-7-4-3-6-5-8(7)14-10(6)12/h3*9-12H,1,6-7H2,2-5H3;8-12H,1,5-6H2,2-4H3;7-10H,1,4-5H2,2-3H3;8-9H,1,4-6H2,2-3H3;2,6-8H,1,3-5H2
• InChIKey: HFUFYUYVBWCHAB-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 473.40 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1932.13
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

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 (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?

The IUPAC name of (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (CID 158466304) is (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.

What is the SMILES notation for (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?

The canonical SMILES for (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is C=C(C)C(=O)OC(C)(C)C(=O)OC1(C)C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC(C)(C)C(=O)OC1C2CC3C(=O)OC1(C)C3C2.C=C(C)C(=O)OC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC(C)(C)C(=O)OC1C2OC(=O)C3CC1(C)CC32.C=C(C)C(=O)OC1C2CC3CC2C(=O)OC31C.C=C(C)C(=O)OC1CC2CCC1(C)OC2=O.C=CC(=O)OC1CCC2CC1OC2=O.

What is the InChIKey of (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?

The InChIKey is HFUFYUYVBWCHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H22O6.C16H20O6.C13H16O4.C12H16O4.C10H12O4/c1-8(2)13(18)23-16(3,4)15(20)22-12-11-9-6-17(12,5)7-10(9)14(19)21-11;1-8(2)13(18)22-16(3,4)15(20)23-17(5)9-6-10-11(7-9)14(19)21-12(10)17;1-8(2)13(18)22-16(3,4)15(20)21-12-9-6-10-11(7-9)17(12,5)23-14(10)19;1-7(2)13(17)22-16(3,4)15(19)21-11-8-5-9-10(6-8)14(18)20-12(9)11;1-6(2)11(14)16-10-8-4-7-5-9(8)12(15)17-13(7,10)3;1-7(2)10(13)15-9-6-8-4-5-12(9,3)16-11(8)14;1-2-9(11)13-7-4-3-6-5-8(7)14-10(6)12/h3*9-12H,1,6-7H2,2-5H3;8-12H,1,5-6H2,2-4H3;7-10H,1,4-5H2,2-3H3;8-9H,1,4-6H2,2-3H3;2,6-8H,1,3-5H2.

What are the key properties of (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?

(1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate has a molecular weight of 1932.13 g/mol, XLogP of 10.53, 22 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methyl-3-oxo-2-oxabicyclo[2.2.2]octan-6-yl) 2-methylprop-2-enoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate;(3-methyl-5-oxo-4-oxatricyclo[4.3.0.03,8]nonan-2-yl) 2-methylprop-2-enoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is sourced from PubChem (CID 158466304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).