1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

C127H198O21 — CID 161486974

About 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate

1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (PubChem CID 161486974) has the molecular formula C127H198O21 and a molecular weight of 2060.96 g/mol. Its IUPAC name is 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
• PubChem CID: 161486974
• Molecular Formula: C127H198O21
• Molecular Weight: 2060.96 g/mol
• Exact Mass: 2059.44
• IUPAC Name: 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)(C)C1CCCCC1.C=C(C)C(=O)OC(C)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)OC1CC2CCC1C2.C=C(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1(C)CC2CCC1C2.C=C(C)C(=O)OC1(C)CCCCCC1.C=CC(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=CC(=O)OC(C)OC1C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)CC2CC1C1CCCC21
• InChI: InChI=1S/C17H28O2.C16H24O3.C15H22O3.C15H24O2.C14H20O2.C13H20O3.C13H22O2.C12H18O2.C12H20O2/c1-3-16(18)19-17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-10(2)15(17)18-11(3)19-16-7-12-4-13(8-16)6-14(5-12)9-16;1-3-14(16)17-9(2)18-15-12-5-10-4-11(7-12)8-13(15)6-10;1-10(2)12(16)17-15(6)9-11-7-8-14(15,5)13(11,3)4;1-3-13(15)16-14(2)8-9-7-12(14)11-6-4-5-10(9)11;1-8(2)13(14)16-9(3)15-12-7-10-4-5-11(12)6-10;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;1-10(2)11(13)14-12(3)8-6-4-5-7-9-12/h3,14-15H,1,4-13H2,2H3;11-14H,1,4-9H2,2-3H3;3,9-13,15H,1,4-8H2,2H3;11H,1,7-9H2,2-6H3;3,9-12H,1,4-8H2,2H3;9-12H,1,4-7H2,2-3H3;11H,1,5-9H2,2-4H3;9-10H,1,4-7H2,2-3H3;1,4-9H2,2-3H3
• InChIKey: WFCDRRLYYNEMAM-UHFFFAOYSA-N
• XLogP: 29.64
• TPSA: 264.39 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.96
LogP ≤ 5	29.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?

The IUPAC name of 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate (CID 161486974) is 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate.

What is the SMILES notation for 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?

The canonical SMILES for 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CCCCC1.C=C(C)C(=O)OC(C)OC12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC(C)OC1CC2CCC1C2.C=C(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.C=C(C)C(=O)OC1(C)CC2CCC1C2.C=C(C)C(=O)OC1(C)CCCCCC1.C=CC(=O)OC(C)(C1CCCCC1)C1CCCCC1.C=CC(=O)OC(C)OC1C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C)CC2CC1C1CCCC21.

What is the InChIKey of 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?

The InChIKey is WFCDRRLYYNEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2.C16H24O3.C15H22O3.C15H24O2.C14H20O2.C13H20O3.C13H22O2.C12H18O2.C12H20O2/c1-3-16(18)19-17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-10(2)15(17)18-11(3)19-16-7-12-4-13(8-16)6-14(5-12)9-16;1-3-14(16)17-9(2)18-15-12-5-10-4-11(7-12)8-13(15)6-10;1-10(2)12(16)17-15(6)9-11-7-8-14(15,5)13(11,3)4;1-3-13(15)16-14(2)8-9-7-12(14)11-6-4-5-10(9)11;1-8(2)13(14)16-9(3)15-12-7-10-4-5-11(12)6-10;1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;1-10(2)11(13)14-12(3)8-6-4-5-7-9-12/h3,14-15H,1,4-13H2,2H3;11-14H,1,4-9H2,2-3H3;3,9-13,15H,1,4-8H2,2H3;11H,1,7-9H2,2-6H3;3,9-12H,1,4-8H2,2H3;9-12H,1,4-7H2,2-3H3;11H,1,5-9H2,2-4H3;9-10H,1,4-7H2,2-3H3;1,4-9H2,2-3H3.

What are the key properties of 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate?

1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate has a molecular weight of 2060.96 g/mol, XLogP of 29.64, 27 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-adamantyloxy)ethyl 2-methylprop-2-enoate;1-(2-adamantyloxy)ethyl prop-2-enoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-cyclohexylpropan-2-yl 2-methylprop-2-enoate;1,1-dicyclohexylethyl prop-2-enoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(1-methylcycloheptyl) 2-methylprop-2-enoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate is sourced from PubChem (CID 161486974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).