(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate

C157H204O51 — CID 158982281

About (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate

(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate (PubChem CID 158982281) has the molecular formula C157H204O51 and a molecular weight of 2907.31 g/mol. Its IUPAC name is (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
• PubChem CID: 158982281
• Molecular Formula: C157H204O51
• Molecular Weight: 2907.31 g/mol
• Exact Mass: 2905.34
• IUPAC Name: (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1(C(=O)O)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC(=O)O)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CCC(=O)O)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(OC(C)=O)(CC(OC(C)=O)(C3)C1)C2.C=C(C)C(=O)OC1C2CC3C(=O)OCC1C3C2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C)C2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3C2C.C=C(C)C(=O)OCCCC(=O)O.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.COC(=O)C1CC2C=CC1C2.O=C1C=CC(=O)O1
• InChI: InChI=1S/C18H24O6.C17H24O4.C16H22O4.C15H20O4.C14H20O5.3C13H16O4.C9H12O2.C8H12O4.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c1-11(2)15(21)24-18-7-14-5-16(9-18,22-12(3)19)8-17(6-14,10-18)23-13(4)20;1-10(2)16(20)21-17(4-3-15(18)19)13-6-11-5-12(8-13)9-14(17)7-11;1-9(2)15(19)20-16(8-14(17)18)12-4-10-3-11(6-12)7-13(16)5-10;1-8(2)13(16)19-15(14(17)18)11-4-9-3-10(6-11)7-12(15)5-9;1-9(2)10(15)19-14-6-11(16)3-12(17,7-14)5-13(18,4-11)8-14;1-6(2)11(14)16-9-7-4-8-10(9)17-12(15)13(8,3)5-7;1-6(2)12(14)17-11-7-3-8-9(4-7)13(15)16-5-10(8)11;1-5(2)12(14)16-10-7-4-8-9(6(7)3)13(15)17-11(8)10;1-11-9(10)8-5-6-2-3-7(8)4-6;1-6(2)8(11)12-5-3-4-7(9)10;1-5-4-7(2,3)9-6(5)8;1-3-2-4(6)8-5(3)7;1-4-2-3-7-5(4)6;5-3-1-2-4(6)7-3/h14H,1,5-10H2,2-4H3;11-14H,1,3-9H2,2H3,(H,18,19);10-13H,1,3-8H2,2H3,(H,17,18);9-12H,1,3-7H2,2H3,(H,17,18);16-18H,1,3-8H2,2H3;7-10H,1,4-5H2,2-3H3;7-11H,1,3-5H2,2H3;6-11H,1,4H2,2-3H3;2-3,6-8H,4-5H2,1H3;1,3-5H2,2H3,(H,9,10);1,4H2,2-3H3;1-2H2;1-3H2;1-2H
• InChIKey: JPDNEAGDZAKIBL-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 743.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 47
• Rotatable Bonds: 30
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2907.31
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?

The IUPAC name of (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate (CID 158982281) is (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate.

What is the SMILES notation for (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?

The canonical SMILES for (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(=O)O)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC(=O)O)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CCC(=O)O)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(OC(C)=O)(CC(OC(C)=O)(C3)C1)C2.C=C(C)C(=O)OC1C2CC3C(=O)OCC1C3C2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C)C2.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3C2C.C=C(C)C(=O)OCCCC(=O)O.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.COC(=O)C1CC2C=CC1C2.O=C1C=CC(=O)O1.

What is the InChIKey of (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?

The InChIKey is JPDNEAGDZAKIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6.C17H24O4.C16H22O4.C15H20O4.C14H20O5.3C13H16O4.C9H12O2.C8H12O4.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c1-11(2)15(21)24-18-7-14-5-16(9-18,22-12(3)19)8-17(6-14,10-18)23-13(4)20;1-10(2)16(20)21-17(4-3-15(18)19)13-6-11-5-12(8-13)9-14(17)7-11;1-9(2)15(19)20-16(8-14(17)18)12-4-10-3-11(6-12)7-13(16)5-10;1-8(2)13(16)19-15(14(17)18)11-4-9-3-10(6-11)7-12(15)5-9;1-9(2)10(15)19-14-6-11(16)3-12(17,7-14)5-13(18,4-11)8-14;1-6(2)11(14)16-9-7-4-8-10(9)17-12(15)13(8,3)5-7;1-6(2)12(14)17-11-7-3-8-9(4-7)13(15)16-5-10(8)11;1-5(2)12(14)16-10-7-4-8-9(6(7)3)13(15)17-11(8)10;1-11-9(10)8-5-6-2-3-7(8)4-6;1-6(2)8(11)12-5-3-4-7(9)10;1-5-4-7(2,3)9-6(5)8;1-3-2-4(6)8-5(3)7;1-4-2-3-7-5(4)6;5-3-1-2-4(6)7-3/h14H,1,5-10H2,2-4H3;11-14H,1,3-9H2,2H3,(H,18,19);10-13H,1,3-8H2,2H3,(H,17,18);9-12H,1,3-7H2,2H3,(H,17,18);16-18H,1,3-8H2,2H3;7-10H,1,4-5H2,2-3H3;7-11H,1,3-5H2,2H3;6-11H,1,4H2,2-3H3;2-3,6-8H,4-5H2,1H3;1,3-5H2,2H3,(H,9,10);1,4H2,2-3H3;1-2H2;1-3H2;1-2H.

What are the key properties of (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?

(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate has a molecular weight of 2907.31 g/mol, XLogP of 18.98, 30 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;(6-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)adamantane-2-carboxylic acid;2-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]acetic acid;3-[2-(2-methylprop-2-enoyloxy)-2-adamantyl]propanoic acid;4-(2-methylprop-2-enoyloxy)butanoic acid;(6-oxo-5-oxatricyclo[5.2.1.03,8]decan-2-yl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate is sourced from PubChem (CID 158982281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).