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

C151H214O52 — CID 159964358

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

[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) prop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate (PubChem CID 159964358) has the molecular formula C151H214O52 and a molecular weight of 2861.32 g/mol. Its IUPAC name is [2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) prop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate.

Molecular Properties

• Compound Name: [2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) prop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate
• PubChem CID: 159964358
• Molecular Formula: C151H214O52
• Molecular Weight: 2861.32 g/mol
• Exact Mass: 2859.41
• IUPAC Name: [2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) prop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC12CC3(C)CC(O)(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1C)C2.C=C(C)C(=O)OCC(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.C=CC(=O)OC12CC3(C)CC(O)(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1C)C2.C=CC(=O)OC12CC3CC(O)(CC(O)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3(O)CC(O)(CC(O)(C3)C1)C2.C=CC(=O)OCC(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2
• InChI: InChI=1S/C16H22O7.C16H22O6.C16H24O4.C15H20O7.C15H20O6.C15H22O5.2C15H22O4.C14H20O5.C14H20O4/c1-10(2)12(18)22-3-11(17)23-16-7-13(19)4-14(20,8-16)6-15(21,5-13)9-16;1-10(2)13(18)21-6-12(17)22-16-5-11-3-14(19,8-16)7-15(20,4-11)9-16;1-10(2)12(17)20-16-7-13(4)5-14(18,9-16)8-15(19,6-13)11(16)3;1-2-10(16)21-3-11(17)22-15-7-12(18)4-13(19,8-15)6-14(20,5-12)9-15;1-2-11(16)20-6-12(17)21-15-5-10-3-13(18,8-15)7-14(19,4-10)9-15;1-9(2)11(16)20-15-7-12(17)4-13(18,8-15)6-14(19,5-12)10(15)3;1-9(2)12(16)19-15-6-11-4-13(17,8-15)7-14(18,5-11)10(15)3;1-4-11(16)19-15-7-12(3)5-13(17,9-15)8-14(18,6-12)10(15)2;1-3-10(15)19-14-7-11(16)4-12(17,8-14)6-13(18,5-11)9(14)2;1-3-11(15)18-14-6-10-4-12(16,8-14)7-13(17,5-10)9(14)2/h19-21H,1,3-9H2,2H3;11,19-20H,1,3-9H2,2H3;11,18-19H,1,5-9H2,2-4H3;2,18-20H,1,3-9H2;2,10,18-19H,1,3-9H2;10,17-19H,1,4-8H2,2-3H3;10-11,17-18H,1,4-8H2,2-3H3;4,10,17-18H,1,5-9H2,2-3H3;3,9,16-18H,1,4-8H2,2H3;3,9-10,16-17H,1,4-8H2,2H3
• InChIKey: ODSVQIVOFMNLBL-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 853.72 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 52
• Rotatable Bonds: 28
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2861.32
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	52

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

The IUPAC name of [2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) prop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate (CID 159964358) is [2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) prop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate.

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

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

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

The InChIKey is ODSVQIVOFMNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O7.C16H22O6.C16H24O4.C15H20O7.C15H20O6.C15H22O5.2C15H22O4.C14H20O5.C14H20O4/c1-10(2)12(18)22-3-11(17)23-16-7-13(19)4-14(20,8-16)6-15(21,5-13)9-16;1-10(2)13(18)21-6-12(17)22-16-5-11-3-14(19,8-16)7-15(20,4-11)9-16;1-10(2)12(17)20-16-7-13(4)5-14(18,9-16)8-15(19,6-13)11(16)3;1-2-10(16)21-3-11(17)22-15-7-12(18)4-13(19,8-15)6-14(20,5-12)9-15;1-2-11(16)20-6-12(17)21-15-5-10-3-13(18,8-15)7-14(19,4-10)9-15;1-9(2)11(16)20-15-7-12(17)4-13(18,8-15)6-14(19,5-12)10(15)3;1-9(2)12(16)19-15-6-11-4-13(17,8-15)7-14(18,5-11)10(15)3;1-4-11(16)19-15-7-12(3)5-13(17,9-15)8-14(18,6-12)10(15)2;1-3-10(15)19-14-7-11(16)4-12(17,8-14)6-13(18,5-11)9(14)2;1-3-11(15)18-14-6-10-4-12(16,8-14)7-13(17,5-10)9(14)2/h19-21H,1,3-9H2,2H3;11,19-20H,1,3-9H2,2H3;11,18-19H,1,5-9H2,2-4H3;2,18-20H,1,3-9H2;2,10,18-19H,1,3-9H2;10,17-19H,1,4-8H2,2-3H3;10-11,17-18H,1,4-8H2,2-3H3;4,10,17-18H,1,5-9H2,2-3H3;3,9,16-18H,1,4-8H2,2H3;3,9-10,16-17H,1,4-8H2,2H3.

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

[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) prop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate has a molecular weight of 2861.32 g/mol, XLogP of 7.98, 28 rotatable bonds, 24 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) prop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(3,5,7-trihydroxy-1-adamantyl)oxy]ethyl] prop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trihydroxy-2-methyl-1-adamantyl) prop-2-enoate is sourced from PubChem (CID 159964358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).