[2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)

C180H238F12I2O34S4+2 — CID 160834678

IUPAC[2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
SMILESCC(C)(C)OC(=O)OC1C2CC3CC1CC(COC(=O)C(C)(F)F)(C3)C2.CC(C)(C)OC(=O)OC1C2CC3CC1CC(COC(=O)COC(=O)C(C)(F)F)(C3)C2.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(C1)C(O)C(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)C(O)C(C3)C2.CCOC(C)OC1C2CC3CC1CC(COC(=O)C(C)(F)F)(C3)C2.CCOC(C)OC1C2CC3CC1CC(COC(=O)COC(=O)C(C)(F)F)(C3)C2.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C21H30F2O7.C20H30F2O6.C19H28F2O5.C18H28F2O4.C16H22F2O5.C14H20F2O3.2C12H10I.4C12H15OS/c1-19(2,3)30-18(26)29-16-13-5-12-6-14(16)9-21(7-12,8-13)11-28-15(24)10-27-17(25)20(4,22)23;1-4-25-12(2)28-17-14-5-13-6-15(17)9-20(7-13,8-14)11-27-16(23)10-26-18(24)19(3,21)22;1-17(2,3)26-16(23)25-14-12-5-11-6-13(14)9-19(7-11,8-12)10-24-15(22)18(4,20)21;1-4-22-11(2)24-15-13-5-12-6-14(15)9-18(7-12,8-13)10-23-16(21)17(3,19)20;1-15(17,18)14(21)22-7-12(19)23-8-16-4-9-2-10(5-16)13(20)11(3-9)6-16;1-13(15,16)12(18)19-7-14-4-8-2-9(5-14)11(17)10(3-8)6-14;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h12-14,16H,5-11H2,1-4H3;12-15,17H,4-11H2,1-3H3;11-14H,5-10H2,1-4H3;11-15H,4-10H2,1-3H3;9-11,13,20H,2-8H2,1H3;8-11,17H,2-7H2,1H3;2*1-10H;4*1-3,6-7H,4-5,8-10H2/q;;;;;;2*-1;4*+1
InChIKeyGWLXHCCXFHQHQF-UHFFFAOYSA-N
MW3555.90 g/mol
LogP28.35
Rot. Bonds50

About [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)

[2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) (PubChem CID 160834678) has the molecular formula C180H238F12I2O34S4+2 and a molecular weight of 3555.90 g/mol. Its IUPAC name is [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone).

Molecular Properties

Compound Name[2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
PubChem CID160834678
Molecular FormulaC180H238F12I2O34S4+2
Molecular Weight3555.90 g/mol
Exact Mass3553.37
IUPAC Name[2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
SMILESCC(C)(C)OC(=O)OC1C2CC3CC1CC(COC(=O)C(C)(F)F)(C3)C2.CC(C)(C)OC(=O)OC1C2CC3CC1CC(COC(=O)COC(=O)C(C)(F)F)(C3)C2.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(C1)C(O)C(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)C(O)C(C3)C2.CCOC(C)OC1C2CC3CC1CC(COC(=O)C(C)(F)F)(C3)C2.CCOC(C)OC1C2CC3CC1CC(COC(=O)COC(=O)C(C)(F)F)(C3)C2.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C21H30F2O7.C20H30F2O6.C19H28F2O5.C18H28F2O4.C16H22F2O5.C14H20F2O3.2C12H10I.4C12H15OS/c1-19(2,3)30-18(26)29-16-13-5-12-6-14(16)9-21(7-12,8-13)11-28-15(24)10-27-17(25)20(4,22)23;1-4-25-12(2)28-17-14-5-13-6-15(17)9-20(7-13,8-14)11-27-16(23)10-26-18(24)19(3,21)22;1-17(2,3)26-16(23)25-14-12-5-11-6-13(14)9-19(7-11,8-12)10-24-15(22)18(4,20)21;1-4-22-11(2)24-15-13-5-12-6-14(15)9-18(7-12,8-13)10-23-16(21)17(3,19)20;1-15(17,18)14(21)22-7-12(19)23-8-16-4-9-2-10(5-16)13(20)11(3-9)6-16;1-13(15,16)12(18)19-7-14-4-8-2-9(5-14)11(17)10(3-8)6-14;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h12-14,16H,5-11H2,1-4H3;12-15,17H,4-11H2,1-3H3;11-14H,5-10H2,1-4H3;11-15H,4-10H2,1-3H3;9-11,13,20H,2-8H2,1H3;8-11,17H,2-7H2,1H3;2*1-10H;4*1-3,6-7H,4-5,8-10H2/q;;;;;;2*-1;4*+1
InChIKeyGWLXHCCXFHQHQF-UHFFFAOYSA-N
XLogP28.35
TPSA453.42 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds50
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003555.90
LogP ≤ 528.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 162241418
1-adamantylmethyl 2,2-difluoropropanoate;methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(triphenylsulfanium)
CID 158389307
2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]ethyl 2,2-difluoropropanoate
CID 70935484
1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 158411302
2-adamantylmethoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;1-adamantylmethoxymethyl 4-(2,2-difluoropropanoyloxy)-4-methyladamantane-1-carboxylate;[5-(cyclohexylmethoxymethoxy)-2-adamantyl] 2,2-difluoropropanoate;cyclohexylmethoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;phenylmethoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)
CID 159582051
(4-hydroxy-1-adamantyl)methyl 2,2-dimethylbutanoate
CID 59229073
[2-(1-adamantylmethoxy)-2-oxoethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 59602305
1-adamantylmethyl 2,2-difluoropropanoate;(4-tert-butylphenyl)-diphenylsulfanium;tris((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium
CID 157198823
(2-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate
CID 59602419
2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene
CID 159803086
(3,5-dihydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(3,5-dihydroxy-1-adamantyl)methyl 2-fluoro-2-methylpropanoate;(3,5-dihydroxy-1-adamantyl)methyl 3,3,3-trifluoro-2,2-dimethylpropanoate;(2-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(3-hydroxy-1-adamantyl)methyl 2-fluoro-2-methylpropanoate;2-[(3-hydroxy-1-adamantyl)oxy]ethyl 2,2-difluoropropanoate
CID 157188471
1-adamantylmethyl 2-fluoro-2-methylpropanoate
CID 59602420

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?
The IUPAC name of [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) (CID 160834678) is [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone).
What is the SMILES notation for [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?
The canonical SMILES for [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) is CC(C)(C)OC(=O)OC1C2CC3CC1CC(COC(=O)C(C)(F)F)(C3)C2.CC(C)(C)OC(=O)OC1C2CC3CC1CC(COC(=O)COC(=O)C(C)(F)F)(C3)C2.CC(F)(F)C(=O)OCC(=O)OCC12CC3CC(C1)C(O)C(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)C(O)C(C3)C2.CCOC(C)OC1C2CC3CC1CC(COC(=O)C(C)(F)F)(C3)C2.CCOC(C)OC1C2CC3CC1CC(COC(=O)COC(=O)C(C)(F)F)(C3)C2.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?
The InChIKey is GWLXHCCXFHQHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2O7.C20H30F2O6.C19H28F2O5.C18H28F2O4.C16H22F2O5.C14H20F2O3.2C12H10I.4C12H15OS/c1-19(2,3)30-18(26)29-16-13-5-12-6-14(16)9-21(7-12,8-13)11-28-15(24)10-27-17(25)20(4,22)23;1-4-25-12(2)28-17-14-5-13-6-15(17)9-20(7-13,8-14)11-27-16(23)10-26-18(24)19(3,21)22;1-17(2,3)26-16(23)25-14-12-5-11-6-13(14)9-19(7-11,8-12)10-24-15(22)18(4,20)21;1-4-22-11(2)24-15-13-5-12-6-14(15)9-18(7-12,8-13)10-23-16(21)17(3,19)20;1-15(17,18)14(21)22-7-12(19)23-8-16-4-9-2-10(5-16)13(20)11(3-9)6-16;1-13(15,16)12(18)19-7-14-4-8-2-9(5-14)11(17)10(3-8)6-14;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h12-14,16H,5-11H2,1-4H3;12-15,17H,4-11H2,1-3H3;11-14H,5-10H2,1-4H3;11-15H,4-10H2,1-3H3;9-11,13,20H,2-8H2,1H3;8-11,17H,2-7H2,1H3;2*1-10H;4*1-3,6-7H,4-5,8-10H2/q;;;;;;2*-1;4*+1.
What are the key properties of [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone)?
[2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) has a molecular weight of 3555.90 g/mol, XLogP of 28.35, 50 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(1-ethoxyethoxy)-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-(1-ethoxyethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;[2-[(4-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-difluoropropanoate;(4-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;[2-[[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethyl] 2,2-difluoropropanoate;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone) is sourced from PubChem (CID 160834678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).