[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate

C148H216O48 — CID 158953577

IUPAC[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC12CC3(C)CC(O)(CC(OCC)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC12CC3(O)CC(O)(CC(OCC)(C3)C1C)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(CC(OCC)(C3)C1C)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(O)(CC(OCC)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3(C)CC(O)(CC(OCC)(C3)C1)C2.C=CC(=O)OCC(=O)OC12CC3(O)CC(O)(CC(OCC)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3CC(CC(OCC)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3CC(O)(CC(OCC)(C3)C1C)C2
InChIInChI=1S/C19H28O7.2C19H28O6.C19H28O5.C18H26O7.2C18H26O6.C18H26O5/c1-5-25-18-8-16(22)7-17(23,9-18)11-19(10-16,13(18)4)26-14(20)6-24-15(21)12(2)3;1-5-24-18-8-16(4)7-17(22,10-18)11-19(9-16,12-18)25-14(20)6-23-15(21)13(2)3;1-5-24-18-7-14-6-17(22,10-18)11-19(8-14,13(18)4)25-15(20)9-23-16(21)12(2)3;1-5-23-18-7-14-6-15(8-18)10-19(9-14,13(18)4)24-16(20)11-22-17(21)12(2)3;1-4-13(19)23-6-14(20)25-18-10-15(21)7-16(22,11-18)9-17(8-15,12(18)3)24-5-2;1-4-13(19)22-6-14(20)24-18-9-15(3)7-16(21,11-18)10-17(8-15,12-18)23-5-2;1-4-14(19)22-9-15(20)24-18-8-13-6-16(21,11-18)10-17(7-13,12(18)3)23-5-2;1-4-15(19)21-11-16(20)23-18-9-13-6-14(10-18)8-17(7-13,12(18)3)22-5-2/h13,22-23H,2,5-11H2,1,3-4H3;22H,2,5-12H2,1,3-4H3;13-14,22H,2,5-11H2,1,3-4H3;13-15H,2,5-11H2,1,3-4H3;4,12,21-22H,1,5-11H2,2-3H3;4,21H,1,5-12H2,2-3H3;4,12-13,21H,1,5-11H2,2-3H3;4,12-14H,1,5-11H2,2-3H3
InChIKeyJLSPKWPQUOLJAU-UHFFFAOYSA-N
MW2763.31 g/mol
LogP15.83
Rot. Bonds48

About [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate

[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate (PubChem CID 158953577) has the molecular formula C148H216O48 and a molecular weight of 2763.31 g/mol. Its IUPAC name is [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate
PubChem CID158953577
Molecular FormulaC148H216O48
Molecular Weight2763.31 g/mol
Exact Mass2761.45
IUPAC Name[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC12CC3(C)CC(O)(CC(OCC)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC12CC3(O)CC(O)(CC(OCC)(C3)C1C)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(CC(OCC)(C3)C1C)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(O)(CC(OCC)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3(C)CC(O)(CC(OCC)(C3)C1)C2.C=CC(=O)OCC(=O)OC12CC3(O)CC(O)(CC(OCC)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3CC(CC(OCC)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3CC(O)(CC(OCC)(C3)C1C)C2
InChIInChI=1S/C19H28O7.2C19H28O6.C19H28O5.C18H26O7.2C18H26O6.C18H26O5/c1-5-25-18-8-16(22)7-17(23,9-18)11-19(10-16,13(18)4)26-14(20)6-24-15(21)12(2)3;1-5-24-18-8-16(4)7-17(22,10-18)11-19(9-16,12-18)25-14(20)6-23-15(21)13(2)3;1-5-24-18-7-14-6-17(22,10-18)11-19(8-14,13(18)4)25-15(20)9-23-16(21)12(2)3;1-5-23-18-7-14-6-15(8-18)10-19(9-14,13(18)4)24-16(20)11-22-17(21)12(2)3;1-4-13(19)23-6-14(20)25-18-10-15(21)7-16(22,11-18)9-17(8-15,12(18)3)24-5-2;1-4-13(19)22-6-14(20)24-18-9-15(3)7-16(21,11-18)10-17(8-15,12-18)23-5-2;1-4-14(19)22-9-15(20)24-18-8-13-6-16(21,11-18)10-17(7-13,12(18)3)23-5-2;1-4-15(19)21-11-16(20)23-18-9-13-6-14(10-18)8-17(7-13,12(18)3)22-5-2/h13,22-23H,2,5-11H2,1,3-4H3;22H,2,5-12H2,1,3-4H3;13-14,22H,2,5-11H2,1,3-4H3;13-15H,2,5-11H2,1,3-4H3;4,12,21-22H,1,5-11H2,2-3H3;4,21H,1,5-12H2,2-3H3;4,12-13,21H,1,5-11H2,2-3H3;4,12-14H,1,5-11H2,2-3H3
InChIKeyJLSPKWPQUOLJAU-UHFFFAOYSA-N
XLogP15.83
TPSA656.48 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds48
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002763.31
LogP ≤ 515.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate with MolForge

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Related Compounds

[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
[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
[2-[(3,5-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate
CID 91509195
(3,5-dihydroxy-2,7-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3,5-dihydroxy-2-methyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2,5-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-5,7-dimethyl-1-adamantyl) prop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 2-methylprop-2-enoate;(3-hydroxy-2-methyl-1-adamantyl) 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 161336418
(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
(3-ethoxy-5,7-dimethyl-1-adamantyl) prop-2-enoate
CID 58013619
[2-[[2-(2-methylpropyl)-2-adamantyl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[2-(2-methylpropyl)-2-adamantyl]oxy]-2-oxoethyl] prop-2-enoate
CID 91269774
[3-(2-chloroacetyl)oxy-5-hydroxy-1-adamantyl] 2-methylprop-2-enoate
CID 58165641
[(3R,5S)-3,5-dihydroxy-1-adamantyl] 2-methylprop-2-enoate
CID 23583089
[3,3,3-trifluoro-2-(trifluoromethyl)propyl] 3-[2-(2-methylprop-2-enoyloxy)acetyl]oxyadamantane-1-carboxylate
CID 137432341
[2-[(5,7-dihydroxy-1-tetracyclo[5.3.1.03,9.05,9]undecanyl)oxy]-2-oxoethyl] prop-2-enoate
CID 147760205
[3-[3-(2-methylprop-2-enoyloxy)butanoyloxy]-1-adamantyl] 3-(2-methylprop-2-enoyloxy)butanoate
CID 18757378

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate (CID 158953577) is [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate is C=C(C)C(=O)OCC(=O)OC12CC3(C)CC(O)(CC(OCC)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC12CC3(O)CC(O)(CC(OCC)(C3)C1C)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(CC(OCC)(C3)C1C)C2.C=C(C)C(=O)OCC(=O)OC12CC3CC(O)(CC(OCC)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3(C)CC(O)(CC(OCC)(C3)C1)C2.C=CC(=O)OCC(=O)OC12CC3(O)CC(O)(CC(OCC)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3CC(CC(OCC)(C3)C1C)C2.C=CC(=O)OCC(=O)OC12CC3CC(O)(CC(OCC)(C3)C1C)C2.
What is the InChIKey of [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate?
The InChIKey is JLSPKWPQUOLJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O7.2C19H28O6.C19H28O5.C18H26O7.2C18H26O6.C18H26O5/c1-5-25-18-8-16(22)7-17(23,9-18)11-19(10-16,13(18)4)26-14(20)6-24-15(21)12(2)3;1-5-24-18-8-16(4)7-17(22,10-18)11-19(9-16,12-18)25-14(20)6-23-15(21)13(2)3;1-5-24-18-7-14-6-17(22,10-18)11-19(8-14,13(18)4)25-15(20)9-23-16(21)12(2)3;1-5-23-18-7-14-6-15(8-18)10-19(9-14,13(18)4)24-16(20)11-22-17(21)12(2)3;1-4-13(19)23-6-14(20)25-18-10-15(21)7-16(22,11-18)9-17(8-15,12(18)3)24-5-2;1-4-13(19)22-6-14(20)24-18-9-15(3)7-16(21,11-18)10-17(8-15,12-18)23-5-2;1-4-14(19)22-9-15(20)24-18-8-13-6-16(21,11-18)10-17(7-13,12(18)3)23-5-2;1-4-15(19)21-11-16(20)23-18-9-13-6-14(10-18)8-17(7-13,12(18)3)22-5-2/h13,22-23H,2,5-11H2,1,3-4H3;22H,2,5-12H2,1,3-4H3;13-14,22H,2,5-11H2,1,3-4H3;13-15H,2,5-11H2,1,3-4H3;4,12,21-22H,1,5-11H2,2-3H3;4,21H,1,5-12H2,2-3H3;4,12-13,21H,1,5-11H2,2-3H3;4,12-14H,1,5-11H2,2-3H3.
What are the key properties of [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate?
[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate has a molecular weight of 2763.31 g/mol, XLogP of 15.83, 48 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5,7-dihydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-5-hydroxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-5-hydroxy-7-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[(3-ethoxy-2-methyl-1-adamantyl)oxy]-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 158953577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).