[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate

C142H204O36 — CID 162155543

About [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate

[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate (PubChem CID 162155543) has the molecular formula C142H204O36 and a molecular weight of 2487.16 g/mol. Its IUPAC name is [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate.

Molecular Properties

• Compound Name: [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate
• PubChem CID: 162155543
• Molecular Formula: C142H204O36
• Molecular Weight: 2487.16 g/mol
• Exact Mass: 2485.41
• IUPAC Name: [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate
• SMILES: C=C(C)C(=O)OCC(=O)OC12CC3(C)CC(C)(CC(C)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC12CC3(C)CC(C)(CC(O)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(CC(C)(C3)C1C)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(O)(CC(C)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3(C)CC(C)(CC(C)(C3)C1)C2.C=CC(=O)OCC(=O)OC12CC3(C)CC(C)(CC(O)(C3)C1)C2.C=CC(=O)OCC(=O)OC12CC3CC(CC(C)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3CC(O)(CC(C)(C3)C1C)C2
• InChI: InChI=1S/C19H28O4.2C18H26O5.2C18H26O4.2C17H24O5.C17H24O4/c1-13(2)15(21)22-6-14(20)23-19-10-16(3)7-17(4,11-19)9-18(5,8-16)12-19;1-12(2)14(20)22-5-13(19)23-18-9-15(3)6-16(4,10-18)8-17(21,7-15)11-18;1-11(2)15(20)22-8-14(19)23-18-7-13-5-16(4,12(18)3)9-17(21,6-13)10-18;1-11(2)16(20)21-10-15(19)22-18-8-13-5-14(9-18)7-17(4,6-13)12(18)3;1-5-13(19)21-6-14(20)22-18-10-15(2)7-16(3,11-18)9-17(4,8-15)12-18;1-4-12(18)21-5-13(19)22-17-9-14(2)6-15(3,10-17)8-16(20,7-14)11-17;1-4-13(18)21-8-14(19)22-17-7-12-5-15(3,11(17)2)9-16(20,6-12)10-17;1-4-14(18)20-10-15(19)21-17-8-12-5-13(9-17)7-16(3,6-12)11(17)2/h1,6-12H2,2-5H3;21H,1,5-11H2,2-4H3;12-13,21H,1,5-10H2,2-4H3;12-14H,1,5-10H2,2-4H3;5H,1,6-12H2,2-4H3;4,20H,1,5-11H2,2-3H3;4,11-12,20H,1,5-10H2,2-3H3;4,11-13H,1,5-10H2,2-3H3
• InChIKey: ZLTWAVPTODZCCA-UHFFFAOYSA-N
• XLogP: 22.29
• TPSA: 501.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2487.16
LogP ≤ 5	22.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

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-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate?

The IUPAC name of [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate (CID 162155543) is [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate.

What is the SMILES notation for [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate?

The canonical SMILES for [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate is C=C(C)C(=O)OCC(=O)OC12CC3(C)CC(C)(CC(C)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC12CC3(C)CC(C)(CC(O)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(CC(C)(C3)C1C)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(O)(CC(C)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3(C)CC(C)(CC(C)(C3)C1)C2.C=CC(=O)OCC(=O)OC12CC3(C)CC(C)(CC(O)(C3)C1)C2.C=CC(=O)OCC(=O)OC12CC3CC(CC(C)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3CC(O)(CC(C)(C3)C1C)C2.

What is the InChIKey of [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate?

The InChIKey is ZLTWAVPTODZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4.2C18H26O5.2C18H26O4.2C17H24O5.C17H24O4/c1-13(2)15(21)22-6-14(20)23-19-10-16(3)7-17(4,11-19)9-18(5,8-16)12-19;1-12(2)14(20)22-5-13(19)23-18-9-15(3)6-16(4,10-18)8-17(21,7-15)11-18;1-11(2)15(20)22-8-14(19)23-18-7-13-5-16(4,12(18)3)9-17(21,6-13)10-18;1-11(2)16(20)21-10-15(19)22-18-8-13-5-14(9-18)7-17(4,6-13)12(18)3;1-5-13(19)21-6-14(20)22-18-10-15(2)7-16(3,11-18)9-17(4,8-15)12-18;1-4-12(18)21-5-13(19)22-17-9-14(2)6-15(3,10-17)8-16(20,7-14)11-17;1-4-13(18)21-8-14(19)22-17-7-12-5-15(3,11(17)2)9-16(20,6-12)10-17;1-4-14(18)20-10-15(19)21-17-8-12-5-13(9-17)7-16(3,6-12)11(17)2/h1,6-12H2,2-5H3;21H,1,5-11H2,2-4H3;12-13,21H,1,5-10H2,2-4H3;12-14H,1,5-10H2,2-4H3;5H,1,6-12H2,2-4H3;4,20H,1,5-11H2,2-3H3;4,11-12,20H,1,5-10H2,2-3H3;4,11-13H,1,5-10H2,2-3H3.

What are the key properties of [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate?

[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate has a molecular weight of 2487.16 g/mol, XLogP of 22.29, 32 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-hydroxy-5,7-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(5-hydroxy-2,3-dimethyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)oxy]ethyl] prop-2-enoate is sourced from PubChem (CID 162155543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).