(3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate

C116H152O36 — CID 160794626

About (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate

(3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate (PubChem CID 160794626) has the molecular formula C116H152O36 and a molecular weight of 2122.46 g/mol. Its IUPAC name is (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
• PubChem CID: 160794626
• Molecular Formula: C116H152O36
• Molecular Weight: 2122.46 g/mol
• Exact Mass: 2121.01
• IUPAC Name: (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(CC(OC(C)=O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(OC(C)=O)(CC(OC(C)=O)(C3)C1)C2.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.COC(=O)C1CC2C=CC1C2.O=C1C=CC(=O)O1.O=C1CC2(CO1)CC1C=CC2C1
• InChI: InChI=1S/C18H24O6.C16H22O4.C14H20O5.C14H20O4.C14H20O3.C10H12O2.C9H12O2.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)14(18)20-16-7-12-4-13(8-16)6-15(5-12,9-16)19-11(3)17;1-9(2)10(15)19-14-6-11(16)3-12(17,7-14)5-13(18,4-11)8-14;1-9(2)11(15)18-14-5-10-3-12(16,7-14)6-13(17,4-10)8-14;1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;1-11-9(10)8-5-6-2-3-7(8)4-6;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;12-13H,1,4-9H2,2-3H3;16-18H,1,3-8H2,2H3;10,16-17H,1,3-8H2,2H3;10-11,16H,1,3-8H2,2H3;1-2,7-8H,3-6H2;2-3,6-8H,4-5H2,1H3;1,4H2,2-3H3;1-2H2;1-3H2;1-2H
• InChIKey: SCGVCWWIBDJMKD-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 523.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 14
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2122.46
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?

The IUPAC name of (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate (CID 160794626) is (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate.

What is the SMILES notation for (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?

The canonical SMILES for (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(CC(OC(C)=O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(OC(C)=O)(CC(OC(C)=O)(C3)C1)C2.C=C1CC(=O)OC1=O.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.COC(=O)C1CC2C=CC1C2.O=C1C=CC(=O)O1.O=C1CC2(CO1)CC1C=CC2C1.

What is the InChIKey of (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?

The InChIKey is SCGVCWWIBDJMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6.C16H22O4.C14H20O5.C14H20O4.C14H20O3.C10H12O2.C9H12O2.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)14(18)20-16-7-12-4-13(8-16)6-15(5-12,9-16)19-11(3)17;1-9(2)10(15)19-14-6-11(16)3-12(17,7-14)5-13(18,4-11)8-14;1-9(2)11(15)18-14-5-10-3-12(16,7-14)6-13(17,4-10)8-14;1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;1-11-9(10)8-5-6-2-3-7(8)4-6;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;12-13H,1,4-9H2,2-3H3;16-18H,1,3-8H2,2H3;10,16-17H,1,3-8H2,2H3;10-11,16H,1,3-8H2,2H3;1-2,7-8H,3-6H2;2-3,6-8H,4-5H2,1H3;1,4H2,2-3H3;1-2H2;1-3H2;1-2H.

What are the key properties of (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?

(3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate has a molecular weight of 2122.46 g/mol, XLogP of 13.41, 14 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;furan-2,5-dione;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;3-methylideneoxolane-2,5-dione;3-methylideneoxolan-2-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate is sourced from PubChem (CID 160794626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).