[2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate

C95H140O16 — CID 160798017

About [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate

[2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate (PubChem CID 160798017) has the molecular formula C95H140O16 and a molecular weight of 1538.15 g/mol. Its IUPAC name is [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate.

Molecular Properties

• Compound Name: [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate
• PubChem CID: 160798017
• Molecular Formula: C95H140O16
• Molecular Weight: 1538.15 g/mol
• Exact Mass: 1537.01
• IUPAC Name: [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate
• SMILES: C=C(C)C(=O)OCC(=O)OC1(C2CC3CC2CC3C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCC(=O)OC1(C2CCC(C)CC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCC(=O)OC1(C2CCC(C)CC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCC(=O)OC1(C2CCCC(C)C2)C2CC3CC1CC(C)(C3)C2
• InChI: InChI=1S/C25H36O4.C24H36O4.2C23H34O4/c1-14(2)23(27)28-13-22(26)29-25(21-9-17-8-18(21)5-15(17)3)19-6-16-7-20(25)12-24(4,10-16)11-19;1-15(2)22(26)27-14-21(25)28-24(18-7-5-16(3)6-8-18)19-9-17-10-20(24)13-23(4,11-17)12-19;1-4-20(24)26-14-21(25)27-23(17-7-5-15(2)6-8-17)18-9-16-10-19(23)13-22(3,11-16)12-18;1-4-20(24)26-14-21(25)27-23(17-7-5-6-15(2)8-17)18-9-16-10-19(23)13-22(3,11-16)12-18/h15-21H,1,5-13H2,2-4H3;16-20H,1,5-14H2,2-4H3;2*4,15-19H,1,5-14H2,2-3H3
• InChIKey: SCRRHTLVPCXDFJ-UHFFFAOYSA-N
• XLogP: 19.32
• TPSA: 210.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1538.15
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate?

The IUPAC name of [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate (CID 160798017) is [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate.

What is the SMILES notation for [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate?

The canonical SMILES for [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate is C=C(C)C(=O)OCC(=O)OC1(C2CC3CC2CC3C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OCC(=O)OC1(C2CCC(C)CC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCC(=O)OC1(C2CCC(C)CC2)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OCC(=O)OC1(C2CCCC(C)C2)C2CC3CC1CC(C)(C3)C2.

What is the InChIKey of [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate?

The InChIKey is SCRRHTLVPCXDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O4.C24H36O4.2C23H34O4/c1-14(2)23(27)28-13-22(26)29-25(21-9-17-8-18(21)5-15(17)3)19-6-16-7-20(25)12-24(4,10-16)11-19;1-15(2)22(26)27-14-21(25)28-24(18-7-5-16(3)6-8-18)19-9-17-10-20(24)13-23(4,11-17)12-19;1-4-20(24)26-14-21(25)27-23(17-7-5-15(2)6-8-17)18-9-16-10-19(23)13-22(3,11-16)12-18;1-4-20(24)26-14-21(25)27-23(17-7-5-6-15(2)8-17)18-9-16-10-19(23)13-22(3,11-16)12-18/h15-21H,1,5-13H2,2-4H3;16-20H,1,5-14H2,2-4H3;2*4,15-19H,1,5-14H2,2-3H3.

What are the key properties of [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate?

[2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate has a molecular weight of 1538.15 g/mol, XLogP of 19.32, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[5-methyl-2-(5-methyl-2-bicyclo[2.2.1]heptanyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5-methyl-2-(3-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate;[2-[[5-methyl-2-(4-methylcyclohexyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 160798017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).