(3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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

C181H242O51 — CID 161054606

IUPAC(3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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
SMILESC=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(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)OC1CC2CC1C1C3CC(COC(C)=O)C(C3)C21.C=C(C)C(=O)OC1CC2CC1C1CC(OC(C)=O)CC21.C=C(C)C(=O)OC1CC2CC1CC2COC(C)=O.C=C(C)C(=O)OC1CCC2C3CC(CC3OC(C)=O)C12.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
InChIInChI=1S/C19H26O4.C18H24O6.3C16H22O4.3C14H20O4.C14H20O3.C10H12O2.C9H12O2.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c1-9(2)19(21)23-16-7-12-6-15(16)18-11-4-13(8-22-10(3)20)14(5-11)17(12)18;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;1-10(2)14(18)20-16-7-12-4-13(8-16)6-15(5-12,9-16)19-11(3)17;1-8(2)16(18)20-15-5-10-4-14(15)13-7-11(6-12(10)13)19-9(3)17;1-8(2)16(18)20-13-5-4-11-12-6-10(15(11)13)7-14(12)19-9(3)17;2*1-9(2)11(15)18-14-5-10-3-12(16,7-14)6-13(17,4-10)8-14;1-8(2)14(16)18-13-6-10-4-11(13)5-12(10)7-17-9(3)15;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/h11-18H,1,4-8H2,2-3H3;14H,1,5-10H2,2-4H3;12-13H,1,4-9H2,2-3H3;2*10-15H,1,4-7H2,2-3H3;2*10,16-17H,1,3-8H2,2H3;10-13H,1,4-7H2,2-3H3;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
InChIKeyUCOTYLWAQARPEI-UHFFFAOYSA-N
MW3233.88 g/mol
LogP24.28
Rot. Bonds28

About (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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 (PubChem CID 161054606) has the molecular formula C181H242O51 and a molecular weight of 3233.88 g/mol. Its IUPAC name is (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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.

Molecular Properties

Compound Name(3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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
PubChem CID161054606
Molecular FormulaC181H242O51
Molecular Weight3233.88 g/mol
Exact Mass3231.63
IUPAC Name(3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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
SMILESC=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(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)OC1CC2CC1C1C3CC(COC(C)=O)C(C3)C21.C=C(C)C(=O)OC1CC2CC1C1CC(OC(C)=O)CC21.C=C(C)C(=O)OC1CC2CC1CC2COC(C)=O.C=C(C)C(=O)OC1CCC2C3CC(CC3OC(C)=O)C12.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
InChIInChI=1S/C19H26O4.C18H24O6.3C16H22O4.3C14H20O4.C14H20O3.C10H12O2.C9H12O2.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c1-9(2)19(21)23-16-7-12-6-15(16)18-11-4-13(8-22-10(3)20)14(5-11)17(12)18;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;1-10(2)14(18)20-16-7-12-4-13(8-16)6-15(5-12,9-16)19-11(3)17;1-8(2)16(18)20-15-5-10-4-14(15)13-7-11(6-12(10)13)19-9(3)17;1-8(2)16(18)20-13-5-4-11-12-6-10(15(11)13)7-14(12)19-9(3)17;2*1-9(2)11(15)18-14-5-10-3-12(16,7-14)6-13(17,4-10)8-14;1-8(2)14(16)18-13-6-10-4-11(13)5-12(10)7-17-9(3)15;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/h11-18H,1,4-8H2,2-3H3;14H,1,5-10H2,2-4H3;12-13H,1,4-9H2,2-3H3;2*10-15H,1,4-7H2,2-3H3;2*10,16-17H,1,3-8H2,2H3;10-13H,1,4-7H2,2-3H3;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
InChIKeyUCOTYLWAQARPEI-UHFFFAOYSA-N
XLogP24.28
TPSA713.89 Ų
H-Bond Donors5
H-Bond Acceptors51
Rotatable Bonds28
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003233.88
LogP ≤ 524.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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?
The IUPAC name of (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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 (CID 161054606) is (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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.
What is the SMILES notation for (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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?
The canonical SMILES for (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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 is 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(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)OC1CC2CC1C1C3CC(COC(C)=O)C(C3)C21.C=C(C)C(=O)OC1CC2CC1C1CC(OC(C)=O)CC21.C=C(C)C(=O)OC1CC2CC1CC2COC(C)=O.C=C(C)C(=O)OC1CCC2C3CC(CC3OC(C)=O)C12.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;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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?
The InChIKey is UCOTYLWAQARPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4.C18H24O6.3C16H22O4.3C14H20O4.C14H20O3.C10H12O2.C9H12O2.C7H10O2.C5H4O3.C5H6O2.C4H2O3/c1-9(2)19(21)23-16-7-12-6-15(16)18-11-4-13(8-22-10(3)20)14(5-11)17(12)18;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;1-10(2)14(18)20-16-7-12-4-13(8-16)6-15(5-12,9-16)19-11(3)17;1-8(2)16(18)20-15-5-10-4-14(15)13-7-11(6-12(10)13)19-9(3)17;1-8(2)16(18)20-13-5-4-11-12-6-10(15(11)13)7-14(12)19-9(3)17;2*1-9(2)11(15)18-14-5-10-3-12(16,7-14)6-13(17,4-10)8-14;1-8(2)14(16)18-13-6-10-4-11(13)5-12(10)7-17-9(3)15;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/h11-18H,1,4-8H2,2-3H3;14H,1,5-10H2,2-4H3;12-13H,1,4-9H2,2-3H3;2*10-15H,1,4-7H2,2-3H3;2*10,16-17H,1,3-8H2,2H3;10-13H,1,4-7H2,2-3H3;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;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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 has a molecular weight of 3233.88 g/mol, XLogP of 24.28, 28 rotatable bonds, 5 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-1-adamantyl) 2-methylprop-2-enoate;[5-(acetyloxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[9-(acetyloxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate;(4-acetyloxy-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(8-acetyloxy-3-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate;(3,5-diacetyloxy-1-adamantyl) 2-methylprop-2-enoate;bis((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 is sourced from PubChem (CID 161054606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).