8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate

C115H135F3O41 — CID 158843661

About 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate

8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate (PubChem CID 158843661) has the molecular formula C115H135F3O41 and a molecular weight of 2230.30 g/mol. Its IUPAC name is 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate
• PubChem CID: 158843661
• Molecular Formula: C115H135F3O41
• Molecular Weight: 2230.30 g/mol
• Exact Mass: 2228.84
• IUPAC Name: 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)C1(C)CCOC1=O.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1CC2OC1C1COC(=O)C21.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCC(=O)OC1C2CC3CC(C2)C(=O)OC1C3.C=C1CC(CC(C)(O)C(F)(F)F)(c2ccc3ccccc3c2)OC1=O.C=C1CC2(CCC(O)CC2)OC1=O.C=C1CC2(CCOC2C)OC1=O.C=CC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC
• InChI: InChI=1S/C19H17F3O3.C16H20O6.C14H16O6.C13H14O6.C12H14O5.C11H12O5.C11H16O4.C10H14O3.C9H12O3/c1-12-10-18(25-16(12)23,11-17(2,24)19(20,21)22)15-8-7-13-5-3-4-6-14(13)9-15;1-8(2)15(18)20-7-13(17)22-14-10-3-9-4-11(6-10)16(19)21-12(14)5-9;1-6(2)13(16)18-5-10(15)19-11-7-3-8-9(4-7)14(17)20-12(8)11;1-3-7(14)18-10-5-4-6-9(8(5)12(15)17-2)13(16)19-11(6)10;1-5(2)11(13)17-8-3-7-9-6(10(8)16-7)4-15-12(9)14;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-7(2)9(12)15-8(3)11(4)5-6-14-10(11)13;1-7-6-10(13-9(7)12)4-2-8(11)3-5-10;1-6-5-9(12-8(6)10)3-4-11-7(9)2/h3-9,24H,1,10-11H2,2H3;9-12,14H,1,3-7H2,2H3;7-9,11-12H,1,3-5H2,2H3;3,5-6,8-11H,1,4H2,2H3;6-10H,1,3-4H2,2H3;5-9H,1,3H2,2H3;8H,1,5-6H2,2-4H3;8,11H,1-6H2;7H,1,3-5H2,2H3
• InChIKey: IYOFKXKXCOWZLI-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 541.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 41
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2230.30
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	41

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 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate?

The IUPAC name of 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate (CID 158843661) is 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate.

What is the SMILES notation for 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate?

The canonical SMILES for 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C1(C)CCOC1=O.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC1CC2OC1C1COC(=O)C21.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCC(=O)OC1C2CC3CC(C2)C(=O)OC1C3.C=C1CC(CC(C)(O)C(F)(F)F)(c2ccc3ccccc3c2)OC1=O.C=C1CC2(CCC(O)CC2)OC1=O.C=C1CC2(CCOC2C)OC1=O.C=CC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.

What is the InChIKey of 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate?

The InChIKey is IYOFKXKXCOWZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O3.C16H20O6.C14H16O6.C13H14O6.C12H14O5.C11H12O5.C11H16O4.C10H14O3.C9H12O3/c1-12-10-18(25-16(12)23,11-17(2,24)19(20,21)22)15-8-7-13-5-3-4-6-14(13)9-15;1-8(2)15(18)20-7-13(17)22-14-10-3-9-4-11(6-10)16(19)21-12(14)5-9;1-6(2)13(16)18-5-10(15)19-11-7-3-8-9(4-7)14(17)20-12(8)11;1-3-7(14)18-10-5-4-6-9(8(5)12(15)17-2)13(16)19-11(6)10;1-5(2)11(13)17-8-3-7-9-6(10(8)16-7)4-15-12(9)14;1-4(2)10(12)15-8-6-3-5-7(14-6)9(8)16-11(5)13;1-7(2)9(12)15-8(3)11(4)5-6-14-10(11)13;1-7-6-10(13-9(7)12)4-2-8(11)3-5-10;1-6-5-9(12-8(6)10)3-4-11-7(9)2/h3-9,24H,1,10-11H2,2H3;9-12,14H,1,3-7H2,2H3;7-9,11-12H,1,3-5H2,2H3;3,5-6,8-11H,1,4H2,2H3;6-10H,1,3-4H2,2H3;5-9H,1,3H2,2H3;8H,1,5-6H2,2-4H3;8,11H,1-6H2;7H,1,3-5H2,2H3.

What are the key properties of 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate?

8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate has a molecular weight of 2230.30 g/mol, XLogP of 10.55, 21 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 8-hydroxy-3-methylidene-1-oxaspiro[4.5]decan-2-one;3-methylidene-5-naphthalen-2-yl-5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)oxolan-2-one;6-methyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one;1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate;methyl 5-oxo-2-prop-2-enoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 158843661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).