[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate

C117H170O12 — CID 160667012

About [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate

[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate (PubChem CID 160667012) has the molecular formula C117H170O12 and a molecular weight of 1768.63 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate.

Molecular Properties

• Compound Name: [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate
• PubChem CID: 160667012
• Molecular Formula: C117H170O12
• Molecular Weight: 1768.63 g/mol
• Exact Mass: 1767.27
• IUPAC Name: [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC1(C2CC3CCC2C3)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C2CCCC2)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C2CCCCC2)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C2CC3CCC2C3)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C2CCCC2)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C2CCCCC2)C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C21H30O2.C20H28O2.C20H30O2.2C19H28O2.C18H26O2/c1-12(2)20(22)23-21(19-11-13-3-4-16(19)6-13)17-7-14-5-15(9-17)10-18(21)8-14;1-2-19(21)22-20(18-11-12-3-4-15(18)6-12)16-7-13-5-14(9-16)10-17(20)8-13;1-13(2)19(21)22-20(16-6-4-3-5-7-16)17-9-14-8-15(11-17)12-18(20)10-14;1-12(2)18(20)21-19(15-5-3-4-6-15)16-8-13-7-14(10-16)11-17(19)9-13;1-2-18(20)21-19(15-6-4-3-5-7-15)16-9-13-8-14(11-16)12-17(19)10-13;1-2-17(19)20-18(14-5-3-4-6-14)15-8-12-7-13(10-15)11-16(18)9-12/h13-19H,1,3-11H2,2H3;2,12-18H,1,3-11H2;14-18H,1,3-12H2,2H3;13-17H,1,3-11H2,2H3;2,13-17H,1,3-12H2;2,12-16H,1,3-11H2
• InChIKey: RMKZWNKOJUZVTF-UHFFFAOYSA-N
• XLogP: 27.05
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1768.63
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate?

The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate (CID 160667012) is [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate.

What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate?

The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate is C=C(C)C(=O)OC1(C2CC3CCC2C3)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C2CCCC2)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C2CCCCC2)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C2CC3CCC2C3)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C2CCCC2)C2CC3CC(C2)CC1C3.C=CC(=O)OC1(C2CCCCC2)C2CC3CC(C2)CC1C3.

What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate?

The InChIKey is RMKZWNKOJUZVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2.C20H28O2.C20H30O2.2C19H28O2.C18H26O2/c1-12(2)20(22)23-21(19-11-13-3-4-16(19)6-13)17-7-14-5-15(9-17)10-18(21)8-14;1-2-19(21)22-20(18-11-12-3-4-15(18)6-12)16-7-13-5-14(9-16)10-17(20)8-13;1-13(2)19(21)22-20(16-6-4-3-5-7-16)17-9-14-8-15(11-17)12-18(20)10-14;1-12(2)18(20)21-19(15-5-3-4-6-15)16-8-13-7-14(10-16)11-17(19)9-13;1-2-18(20)21-19(15-6-4-3-5-7-15)16-9-13-8-14(11-16)12-17(19)10-13;1-2-17(19)20-18(14-5-3-4-6-14)15-8-12-7-13(10-15)11-16(18)9-12/h13-19H,1,3-11H2,2H3;2,12-18H,1,3-11H2;14-18H,1,3-12H2,2H3;13-17H,1,3-11H2,2H3;2,13-17H,1,3-12H2;2,12-16H,1,3-11H2.

What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate?

[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate has a molecular weight of 1768.63 g/mol, XLogP of 27.05, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] 2-methylprop-2-enoate;[2-(2-bicyclo[2.2.1]heptanyl)-2-adamantyl] prop-2-enoate;(2-cyclohexyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclohexyl-2-adamantyl) prop-2-enoate;(2-cyclopentyl-2-adamantyl) 2-methylprop-2-enoate;(2-cyclopentyl-2-adamantyl) prop-2-enoate is sourced from PubChem (CID 160667012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).