4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one

C135H187NO57S2 — CID 161327166

About 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one

4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one (PubChem CID 161327166) has the molecular formula C135H187NO57S2 and a molecular weight of 2800.06 g/mol. Its IUPAC name is 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one.

Molecular Properties

• Compound Name: 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one
• PubChem CID: 161327166
• Molecular Formula: C135H187NO57S2
• Molecular Weight: 2800.06 g/mol
• Exact Mass: 2798.12
• IUPAC Name: 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one
• SMILES: C=C(C)C(=O)NC1CC2CC1C1OC(=O)OC21.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC(C)(C)C1COC(=O)O1.C=C(C)C(=O)OC(C)C1COC(=O)O1.O=C1OC2C3CCC(O3)C2O1.O=C1OC2C3CCC(S3)C2O1.O=C1OC2CCCC2O1.O=C1OCC2(CC3CCC2C3)O1.O=C1OCC2(CC3CCC2O3)O1.O=C1OCC2(CC3CCC2S3)O1.O=C1OCC2(CO1)CC1CCC2C1.O=C1OCC2(CO1)CC1CCC2O1
• InChI: InChI=1S/C12H15NO4.C10H14O5.C10H14O3.C9H12O5.C9H12O4.C9H12O3.C8H10O4.C8H10O3S.C7H8O4.C7H8O3S.C6H8O3.8C5H8O2/c1-5(2)11(14)13-8-4-6-3-7(8)10-9(6)16-12(15)17-10;1-6(2)8(11)15-10(3,4)7-5-13-9(12)14-7;11-9-12-5-10(6-13-9)4-7-1-2-8(10)3-7;1-5(2)8(10)13-6(3)7-4-12-9(11)14-7;10-8-11-4-9(5-12-8)3-6-1-2-7(9)13-6;10-8-11-5-9(12-8)4-6-1-2-7(9)3-6;9-7-10-4-8(12-7)3-5-1-2-6(8)11-5;9-7-10-4-8(11-7)3-5-1-2-6(8)12-5;8-7-10-5-3-1-2-4(9-3)6(5)11-7;8-7-9-5-3-1-2-4(11-3)6(5)10-7;7-6-8-4-2-1-3-5(4)9-6;8*1-4(2)5(6)7-3/h6-10H,1,3-4H2,2H3,(H,13,14);7H,1,5H2,2-4H3;7-8H,1-6H2;6-7H,1,4H2,2-3H3;6-7H,1-5H2;6-7H,1-5H2;2*5-6H,1-4H2;2*3-6H,1-2H2;4-5H,1-3H2;8*1H2,2-3H3
• InChIKey: VKXOMLWNGRABIB-UHFFFAOYSA-N
• XLogP: 19.18
• TPSA: 710.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 59
• Rotatable Bonds: 16
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.06
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	59

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 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one?

The IUPAC name of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one (CID 161327166) is 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one.

What is the SMILES notation for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one?

The canonical SMILES for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one is C=C(C)C(=O)NC1CC2CC1C1OC(=O)OC21.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC(C)(C)C1COC(=O)O1.C=C(C)C(=O)OC(C)C1COC(=O)O1.O=C1OC2C3CCC(O3)C2O1.O=C1OC2C3CCC(S3)C2O1.O=C1OC2CCCC2O1.O=C1OCC2(CC3CCC2C3)O1.O=C1OCC2(CC3CCC2O3)O1.O=C1OCC2(CC3CCC2S3)O1.O=C1OCC2(CO1)CC1CCC2C1.O=C1OCC2(CO1)CC1CCC2O1.

What is the InChIKey of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one?

The InChIKey is VKXOMLWNGRABIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4.C10H14O5.C10H14O3.C9H12O5.C9H12O4.C9H12O3.C8H10O4.C8H10O3S.C7H8O4.C7H8O3S.C6H8O3.8C5H8O2/c1-5(2)11(14)13-8-4-6-3-7(8)10-9(6)16-12(15)17-10;1-6(2)8(11)15-10(3,4)7-5-13-9(12)14-7;11-9-12-5-10(6-13-9)4-7-1-2-8(10)3-7;1-5(2)8(10)13-6(3)7-4-12-9(11)14-7;10-8-11-4-9(5-12-8)3-6-1-2-7(9)13-6;10-8-11-5-9(12-8)4-6-1-2-7(9)3-6;9-7-10-4-8(12-7)3-5-1-2-6(8)11-5;9-7-10-4-8(11-7)3-5-1-2-6(8)12-5;8-7-10-5-3-1-2-4(9-3)6(5)11-7;8-7-9-5-3-1-2-4(11-3)6(5)10-7;7-6-8-4-2-1-3-5(4)9-6;8*1-4(2)5(6)7-3/h6-10H,1,3-4H2,2H3,(H,13,14);7H,1,5H2,2-4H3;7-8H,1-6H2;6-7H,1,4H2,2-3H3;6-7H,1-5H2;6-7H,1-5H2;2*5-6H,1-4H2;2*3-6H,1-2H2;4-5H,1-3H2;8*1H2,2-3H3.

What are the key properties of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one?

4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one has a molecular weight of 2800.06 g/mol, XLogP of 19.18, 16 rotatable bonds, 1 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one;3,5-dioxa-10-thiatricyclo[5.2.1.02,6]decan-4-one;octakis(methyl 2-methylprop-2-enoate);2-methyl-N-(4-oxo-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enamide;1-(2-oxo-1,3-dioxolan-4-yl)ethyl 2-methylprop-2-enoate;2-(2-oxo-1,3-dioxolan-4-yl)propan-2-yl 2-methylprop-2-enoate;spiro[1,3-dioxane-5,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxane-5,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-oxabicyclo[2.2.1]heptane]-2-one;spiro[1,3-dioxolane-4,2'-7-thiabicyclo[2.2.1]heptane]-2-one;3,5,10-trioxatricyclo[5.2.1.02,6]decan-4-one is sourced from PubChem (CID 161327166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).