4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate

C206H266O53 — CID 161494455

IUPAC4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
SMILESC1=CC2CC1CC21COCO1.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(C(C)(C)O)(C1)CC(C(C)(C)O)(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)CC(C(C)(C)O)(C3)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.C=Cc1ccc(C(C)(C)O)cc1.COC(=O)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1C=CC(=O)O1.O=C1CC(C2CC3C=CC2C3)CO1.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CC2(CO1)CC1C=CC2C1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.O=C1OCCC12CC1C=CC2C1
InChIInChI=1S/C20H32O4.C18H24O6.C17H26O3.C16H18O4.C15H16O5.C14H20O5.C13H16O3.C12H16O2.C11H14O2.C11H14O.2C10H12O2.2C9H12O2.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c1-13(2)15(21)24-20-9-14-7-18(11-20,16(3,4)22)10-19(8-14,12-20)17(5,6)23;1-11(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;1-11(2)14(18)20-17-8-12-5-13(9-17)7-16(6-12,10-17)15(3,4)19;17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;1-9(2)10(15)19-14-6-11(16)3-12(17,7-14)5-13(18,4-11)8-14;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;12-11-5-9(6-13-11)10-4-7-1-2-8(10)3-7;1-4-9-5-7-10(8-6-9)11(2,3)12;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;11-9-10(3-4-12-9)6-7-1-2-8(10)5-7;1-2-8-3-7(1)4-9(8)5-10-6-11-9;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/h14,22-23H,1,7-12H2,2-6H3;14H,1,5-10H2,2-4H3;12-13,19H,1,5-10H2,2-4H3;1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;16-18H,1,3-8H2,2H3;4-5,8-10,12H,1-3,6-7H2;1-2,8-11H,3-7H2;1-2,7-10H,3-6H2;4-8,12H,1H2,2-3H3;2*1-2,7-8H,3-6H2;1-2,7-8H,3-6H2;2-3,6-8H,4-5H2,1H3;1,4H2,2-3H3;1-2H2;1-3H2;1-2H
InChIKeyWGAAYOMOPFFAGW-UHFFFAOYSA-N
MW3590.34 g/mol
LogP27.41
Rot. Bonds25

About 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate

4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate (PubChem CID 161494455) has the molecular formula C206H266O53 and a molecular weight of 3590.34 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
PubChem CID161494455
Molecular FormulaC206H266O53
Molecular Weight3590.34 g/mol
Exact Mass3587.81
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate
SMILESC1=CC2CC1CC21COCO1.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(C(C)(C)O)(C1)CC(C(C)(C)O)(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)CC(C(C)(C)O)(C3)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.C=Cc1ccc(C(C)(C)O)cc1.COC(=O)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1C=CC(=O)O1.O=C1CC(C2CC3C=CC2C3)CO1.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CC2(CO1)CC1C=CC2C1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.O=C1OCCC12CC1C=CC2C1
InChIInChI=1S/C20H32O4.C18H24O6.C17H26O3.C16H18O4.C15H16O5.C14H20O5.C13H16O3.C12H16O2.C11H14O2.C11H14O.2C10H12O2.2C9H12O2.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c1-13(2)15(21)24-20-9-14-7-18(11-20,16(3,4)22)10-19(8-14,12-20)17(5,6)23;1-11(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;1-11(2)14(18)20-17-8-12-5-13(9-17)7-16(6-12,10-17)15(3,4)19;17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;1-9(2)10(15)19-14-6-11(16)3-12(17,7-14)5-13(18,4-11)8-14;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;12-11-5-9(6-13-11)10-4-7-1-2-8(10)3-7;1-4-9-5-7-10(8-6-9)11(2,3)12;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;11-9-10(3-4-12-9)6-7-1-2-8(10)5-7;1-2-8-3-7(1)4-9(8)5-10-6-11-9;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/h14,22-23H,1,7-12H2,2-6H3;14H,1,5-10H2,2-4H3;12-13,19H,1,5-10H2,2-4H3;1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;16-18H,1,3-8H2,2H3;4-5,8-10,12H,1-3,6-7H2;1-2,8-11H,3-7H2;1-2,7-10H,3-6H2;4-8,12H,1H2,2-3H3;2*1-2,7-8H,3-6H2;1-2,7-8H,3-6H2;2-3,6-8H,4-5H2,1H3;1,4H2,2-3H3;1-2H2;1-3H2;1-2H
InChIKeyWGAAYOMOPFFAGW-UHFFFAOYSA-N
XLogP27.41
TPSA746.51 Ų
H-Bond Donors7
H-Bond Acceptors53
Rotatable Bonds25
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003590.34
LogP ≤ 527.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1053

Analyze 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?
The IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate (CID 161494455) is 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?
The canonical SMILES for 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate is C1=CC2CC1CC21COCO1.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OC12CC3CC(C(C)(C)O)(C1)CC(C(C)(C)O)(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)CC(C(C)(C)O)(C3)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.C=Cc1ccc(C(C)(C)O)cc1.COC(=O)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1C=CC(=O)O1.O=C1CC(C2CC3C=CC2C3)CO1.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CC2(CO1)CC1C=CC2C1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.O=C1OCCC12CC1C=CC2C1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?
The InChIKey is WGAAYOMOPFFAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4.C18H24O6.C17H26O3.C16H18O4.C15H16O5.C14H20O5.C13H16O3.C12H16O2.C11H14O2.C11H14O.2C10H12O2.2C9H12O2.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c1-13(2)15(21)24-20-9-14-7-18(11-20,16(3,4)22)10-19(8-14,12-20)17(5,6)23;1-11(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;1-11(2)14(18)20-17-8-12-5-13(9-17)7-16(6-12,10-17)15(3,4)19;17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;1-9(2)10(15)19-14-6-11(16)3-12(17,7-14)5-13(18,4-11)8-14;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;12-11-5-9(6-13-11)10-4-7-1-2-8(10)3-7;1-4-9-5-7-10(8-6-9)11(2,3)12;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;11-9-10(3-4-12-9)6-7-1-2-8(10)5-7;1-2-8-3-7(1)4-9(8)5-10-6-11-9;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/h14,22-23H,1,7-12H2,2-6H3;14H,1,5-10H2,2-4H3;12-13,19H,1,5-10H2,2-4H3;1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;16-18H,1,3-8H2,2H3;4-5,8-10,12H,1-3,6-7H2;1-2,8-11H,3-7H2;1-2,7-10H,3-6H2;4-8,12H,1H2,2-3H3;2*1-2,7-8H,3-6H2;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 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate?
4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate has a molecular weight of 3590.34 g/mol, XLogP of 27.41, 25 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;4-(2-bicyclo[2.2.1]hept-5-enyl)oxolan-2-one;[3,5-bis(2-hydroxypropan-2-yl)-1-adamantyl] 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;5,5-dimethyl-3-methylideneoxolan-2-one;2-(4-ethenylphenyl)propan-2-ol;furan-2,5-dione;[3-(2-hydroxypropan-2-yl)-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;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one;spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one;spiro[1,3-dioxolane-4,5'-bicyclo[2.2.1]hept-2-ene];(3,5,7-trihydroxy-1-adamantyl) 2-methylprop-2-enoate is sourced from PubChem (CID 161494455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).