[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate

C250H372O24 — CID 157289931

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC3CC2CC3C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C2CC3CCC2C3)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCC(C)C2)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCC2)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCC2C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCCC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CC3CC2CC3C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C2CC3CCC2C3)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCC(C)C2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCC2C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCCC2)C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/2C22H32O2.C22H34O2.2C21H30O2.3C21H32O2.3C20H30O2.C19H28O2/c1-12(2)21(23)24-22(20-11-16-10-17(20)4-13(16)3)18-6-14-5-15(8-18)9-19(22)7-14;1-13(2)20(23)24-22(19-9-14-4-5-16(19)6-14)17-7-15-8-18(22)12-21(3,10-15)11-17;1-14(2)20(23)24-22(17-7-5-6-15(3)8-17)18-9-16-10-19(22)13-21(4,11-16)12-18;1-3-20(22)23-21(19-11-15-10-16(19)4-12(15)2)17-6-13-5-14(8-17)9-18(21)7-13;1-3-19(22)23-21(18-9-13-4-5-15(18)6-13)16-7-14-8-17(21)12-20(2,10-14)11-16;1-13(2)19(22)23-21(18-7-5-6-14(18)3)16-8-15-9-17(21)12-20(4,10-15)11-16;1-14(2)19(22)23-21(16-7-5-4-6-8-16)17-9-15-10-18(21)13-20(3,11-15)12-17;1-4-19(22)23-21(16-7-5-6-14(2)8-16)17-9-15-10-18(21)13-20(3,11-15)12-17;1-13(2)18(21)22-20(15-6-4-5-7-15)16-8-14-9-17(20)12-19(3,10-14)11-16;1-4-18(21)22-20(17-7-5-6-13(17)2)15-8-14-9-16(20)12-19(3,10-14)11-15;1-3-18(21)22-20(15-7-5-4-6-8-15)16-9-14-10-17(20)13-19(2,11-14)12-16;1-3-17(20)21-19(14-6-4-5-7-14)15-8-13-9-16(19)12-18(2,10-13)11-15/h13-20H,1,4-11H2,2-3H3;14-19H,1,4-12H2,2-3H3;15-19H,1,5-13H2,2-4H3;3,12-19H,1,4-11H2,2H3;3,13-18H,1,4-12H2,2H3;14-18H,1,5-12H2,2-4H3;15-18H,1,4-13H2,2-3H3;4,14-18H,1,5-13H2,2-3H3;14-17H,1,4-12H2,2-3H3;4,13-17H,1,5-12H2,2-3H3;3,14-17H,1,4-13H2,2H3;3,13-16H,1,4-12H2,2H3
InChIKeyBARJGPGXXPHSMJ-UHFFFAOYSA-N
MW3761.70 g/mol
LogP59.47
Rot. Bonds36

About [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate

[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate (PubChem CID 157289931) has the molecular formula C250H372O24 and a molecular weight of 3761.70 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate
PubChem CID157289931
Molecular FormulaC250H372O24
Molecular Weight3761.70 g/mol
Exact Mass3758.79
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC3CC2CC3C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C2CC3CCC2C3)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCC(C)C2)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCC2)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCC2C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCCC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CC3CC2CC3C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C2CC3CCC2C3)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCC(C)C2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCC2C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCCC2)C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/2C22H32O2.C22H34O2.2C21H30O2.3C21H32O2.3C20H30O2.C19H28O2/c1-12(2)21(23)24-22(20-11-16-10-17(20)4-13(16)3)18-6-14-5-15(8-18)9-19(22)7-14;1-13(2)20(23)24-22(19-9-14-4-5-16(19)6-14)17-7-15-8-18(22)12-21(3,10-15)11-17;1-14(2)20(23)24-22(17-7-5-6-15(3)8-17)18-9-16-10-19(22)13-21(4,11-16)12-18;1-3-20(22)23-21(19-11-15-10-16(19)4-12(15)2)17-6-13-5-14(8-17)9-18(21)7-13;1-3-19(22)23-21(18-9-13-4-5-15(18)6-13)16-7-14-8-17(21)12-20(2,10-14)11-16;1-13(2)19(22)23-21(18-7-5-6-14(18)3)16-8-15-9-17(21)12-20(4,10-15)11-16;1-14(2)19(22)23-21(16-7-5-4-6-8-16)17-9-15-10-18(21)13-20(3,11-15)12-17;1-4-19(22)23-21(16-7-5-6-14(2)8-16)17-9-15-10-18(21)13-20(3,11-15)12-17;1-13(2)18(21)22-20(15-6-4-5-7-15)16-8-14-9-17(20)12-19(3,10-14)11-16;1-4-18(21)22-20(17-7-5-6-13(17)2)15-8-14-9-16(20)12-19(3,10-14)11-15;1-3-18(21)22-20(15-7-5-4-6-8-15)16-9-14-10-17(20)13-19(2,11-14)12-16;1-3-17(20)21-19(14-6-4-5-7-14)15-8-13-9-16(19)12-18(2,10-13)11-15/h13-20H,1,4-11H2,2-3H3;14-19H,1,4-12H2,2-3H3;15-19H,1,5-13H2,2-4H3;3,12-19H,1,4-11H2,2H3;3,13-18H,1,4-12H2,2H3;14-18H,1,5-12H2,2-4H3;15-18H,1,4-13H2,2-3H3;4,14-18H,1,5-13H2,2-3H3;14-17H,1,4-12H2,2-3H3;4,13-17H,1,5-12H2,2-3H3;3,14-17H,1,4-13H2,2H3;3,13-16H,1,4-12H2,2H3
InChIKeyBARJGPGXXPHSMJ-UHFFFAOYSA-N
XLogP59.47
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003761.70
LogP ≤ 559.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate (CID 157289931) is [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate is C=C(C)C(=O)OC1(C2CC3CC2CC3C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C2CC3CCC2C3)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCC(C)C2)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCC2)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCC2C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C2CCCCC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CC3CC2CC3C)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C2CC3CCC2C3)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCC(C)C2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCC2C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C2CCCCC2)C2CC3CC1CC(C)(C3)C2.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate?
The InChIKey is BARJGPGXXPHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H32O2.C22H34O2.2C21H30O2.3C21H32O2.3C20H30O2.C19H28O2/c1-12(2)21(23)24-22(20-11-16-10-17(20)4-13(16)3)18-6-14-5-15(8-18)9-19(22)7-14;1-13(2)20(23)24-22(19-9-14-4-5-16(19)6-14)17-7-15-8-18(22)12-21(3,10-15)11-17;1-14(2)20(23)24-22(17-7-5-6-15(3)8-17)18-9-16-10-19(22)13-21(4,11-16)12-18;1-3-20(22)23-21(19-11-15-10-16(19)4-12(15)2)17-6-13-5-14(8-17)9-18(21)7-13;1-3-19(22)23-21(18-9-13-4-5-15(18)6-13)16-7-14-8-17(21)12-20(2,10-14)11-16;1-13(2)19(22)23-21(18-7-5-6-14(18)3)16-8-15-9-17(21)12-20(4,10-15)11-16;1-14(2)19(22)23-21(16-7-5-4-6-8-16)17-9-15-10-18(21)13-20(3,11-15)12-17;1-4-19(22)23-21(16-7-5-6-14(2)8-16)17-9-15-10-18(21)13-20(3,11-15)12-17;1-13(2)18(21)22-20(15-6-4-5-7-15)16-8-14-9-17(20)12-19(3,10-14)11-16;1-4-18(21)22-20(17-7-5-6-13(17)2)15-8-14-9-16(20)12-19(3,10-14)11-15;1-3-18(21)22-20(15-7-5-4-6-8-15)16-9-14-10-17(20)13-19(2,11-14)12-16;1-3-17(20)21-19(14-6-4-5-7-14)15-8-13-9-16(19)12-18(2,10-13)11-15/h13-20H,1,4-11H2,2-3H3;14-19H,1,4-12H2,2-3H3;15-19H,1,5-13H2,2-4H3;3,12-19H,1,4-11H2,2H3;3,13-18H,1,4-12H2,2H3;14-18H,1,5-12H2,2-4H3;15-18H,1,4-13H2,2-3H3;4,14-18H,1,5-13H2,2-3H3;14-17H,1,4-12H2,2-3H3;4,13-17H,1,5-12H2,2-3H3;3,14-17H,1,4-13H2,2H3;3,13-16H,1,4-12H2,2H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate?
[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate has a molecular weight of 3761.70 g/mol, XLogP of 59.47, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-5-methyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-5-methyl-2-adamantyl) prop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl] prop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(2-methylcyclopentyl)-2-adamantyl] prop-2-enoate is sourced from PubChem (CID 157289931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).