(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate

C159H238O26 — CID 160606904

About (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate

(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate (PubChem CID 160606904) has the molecular formula C159H238O26 and a molecular weight of 2565.63 g/mol. Its IUPAC name is (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate.

Molecular Properties

• Compound Name: (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate
• PubChem CID: 160606904
• Molecular Formula: C159H238O26
• Molecular Weight: 2565.63 g/mol
• Exact Mass: 2563.73
• IUPAC Name: (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC12CC3(C)CC(C)(CC(C)(C3)C1)C2.C=C(C)C(=O)OC12CC3(O)CC(O)(CC(C)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(C)(CC(C)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(CC(C)(C3)C1C)C2.C=C(C)C(=O)OC12CC3CC(O)(CC(C)(C3)C1C)C2.C=CC(=O)OC12CC3(C)CC(C)(CC(C)(C3)C1)C2.C=CC(=O)OC12CC3(O)CC(O)(CC(C)(C3)C1C)C2.C=CC(=O)OC12CC3CC(C)(CC(C)(C3)C1C)C2.C=CC(=O)OC12CC3CC(CC(C)(C3)C1C)C2.C=CC(=O)OC12CC3CC(O)(CC(C)(C3)C1C)C2
• InChI: InChI=1S/2C17H26O2.C16H24O4.C16H24O3.3C16H24O2.C15H22O4.C15H22O3.C15H22O2/c1-12(2)13(18)19-17-9-14(3)6-15(4,10-17)8-16(5,7-14)11-17;1-11(2)14(18)19-17-8-13-6-15(4,10-17)9-16(5,7-13)12(17)3;1-10(2)12(17)20-16-8-14(18)5-13(4,11(16)3)6-15(19,7-14)9-16;1-10(2)13(17)19-16-7-12-5-14(4,11(16)3)8-15(18,6-12)9-16;1-10(2)14(17)18-16-8-12-5-13(9-16)7-15(4,6-12)11(16)3;1-5-12(17)18-16-9-13(2)6-14(3,10-16)8-15(4,7-13)11-16;1-5-13(17)18-16-8-12-6-14(3,10-16)9-15(4,7-12)11(16)2;1-4-11(16)19-15-8-13(17)5-12(3,10(15)2)6-14(18,7-13)9-15;1-4-12(16)18-15-7-11-5-13(3,10(15)2)8-14(17,6-11)9-15;1-4-13(16)17-15-8-11-5-12(9-15)7-14(3,6-11)10(15)2/h1,6-11H2,2-5H3;12-13H,1,6-10H2,2-5H3;11,18-19H,1,5-9H2,2-4H3;11-12,18H,1,5-9H2,2-4H3;11-13H,1,5-9H2,2-4H3;5H,1,6-11H2,2-4H3;5,11-12H,1,6-10H2,2-4H3;4,10,17-18H,1,5-9H2,2-3H3;4,10-11,17H,1,5-9H2,2-3H3;4,10-12H,1,5-9H2,2-3H3
• InChIKey: REZINLBJAABSPB-UHFFFAOYSA-N
• XLogP: 31.69
• TPSA: 384.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.63
LogP ≤ 5	31.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

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 (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate?

The IUPAC name of (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate (CID 160606904) is (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate.

What is the SMILES notation for (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate?

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

What is the InChIKey of (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate?

The InChIKey is REZINLBJAABSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H26O2.C16H24O4.C16H24O3.3C16H24O2.C15H22O4.C15H22O3.C15H22O2/c1-12(2)13(18)19-17-9-14(3)6-15(4,10-17)8-16(5,7-14)11-17;1-11(2)14(18)19-17-8-13-6-15(4,10-17)9-16(5,7-13)12(17)3;1-10(2)12(17)20-16-8-14(18)5-13(4,11(16)3)6-15(19,7-14)9-16;1-10(2)13(17)19-16-7-12-5-14(4,11(16)3)8-15(18,6-12)9-16;1-10(2)14(17)18-16-8-12-5-13(9-16)7-15(4,6-12)11(16)3;1-5-12(17)18-16-9-13(2)6-14(3,10-16)8-15(4,7-13)11-16;1-5-13(17)18-16-8-12-6-14(3,10-16)9-15(4,7-12)11(16)2;1-4-11(16)19-15-8-13(17)5-12(3,10(15)2)6-14(18,7-13)9-15;1-4-12(16)18-15-7-11-5-13(3,10(15)2)8-14(17,6-11)9-15;1-4-13(16)17-15-8-11-5-12(9-15)7-14(3,6-11)10(15)2/h1,6-11H2,2-5H3;12-13H,1,6-10H2,2-5H3;11,18-19H,1,5-9H2,2-4H3;11-12,18H,1,5-9H2,2-4H3;11-13H,1,5-9H2,2-4H3;5H,1,6-11H2,2-4H3;5,11-12H,1,6-10H2,2-4H3;4,10,17-18H,1,5-9H2,2-3H3;4,10-11,17H,1,5-9H2,2-3H3;4,10-12H,1,5-9H2,2-3H3.

What are the key properties of (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate?

(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate has a molecular weight of 2565.63 g/mol, XLogP of 31.69, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5,7-dihydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5,7-dihydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3-dimethyl-1-adamantyl) prop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(5-hydroxy-2,3-dimethyl-1-adamantyl) prop-2-enoate;(2,3,5-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5,7-trimethyl-1-adamantyl) 2-methylprop-2-enoate;(2,3,5-trimethyl-1-adamantyl) prop-2-enoate;(3,5,7-trimethyl-1-adamantyl) prop-2-enoate is sourced from PubChem (CID 160606904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).