1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate

C191H257NO37 — CID 164986656

IUPAC1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate
SMILESCCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)=O)cc1.CCC(CC(CC(C)C(=O)OCC(O)COc1ccccc1)c1ccc(OC(C)=O)cc1)c1ccccc1.CCC(CC(CC(C)C(=O)OCCO)c1ccc(OC(C)=O)cc1)c1ccccc1.CCCCNC(=O)OCCOC(=O)C(CC(C)C(=O)OCCO)CC(CC)c1ccccc1.CCCCOC(=O)C(C)CC(C)(CC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCOC(=O)C(CC(C)C(=O)OCCO)CC(C)(CC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCOC(=O)C(CC(C)C(=O)OCCO)CC(CC)c1ccccc1
InChIInChI=1S/C33H42O7.C32H38O6.C28H34O4.C25H39NO7.C25H32O5.C22H34O5.C14H22O.C12H16O2/c1-5-7-17-38-31(36)26(19-23(3)30(35)39-18-16-34)21-33(4,6-2)32(37)40-22-29-27-14-10-8-12-24(27)20-25-13-9-11-15-28(25)29;1-4-25(26-11-7-5-8-12-26)20-28(27-15-17-31(18-16-27)38-24(3)33)19-23(2)32(35)37-22-29(34)21-36-30-13-9-6-10-14-30;1-5-7-16-31-26(29)20(3)18-28(4,6-2)27(30)32-19-25-23-14-10-8-12-21(23)17-22-13-9-11-15-24(22)25;1-4-6-12-26-25(30)33-16-15-32-24(29)22(17-19(3)23(28)31-14-13-27)18-20(5-2)21-10-8-7-9-11-21;1-4-20(21-8-6-5-7-9-21)17-23(16-18(2)25(28)29-15-14-26)22-10-12-24(13-11-22)30-19(3)27;1-4-6-13-26-22(25)20(15-17(3)21(24)27-14-12-23)16-18(5-2)19-10-8-7-9-11-19;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;1-4-9(2)11-5-7-12(8-6-11)14-10(3)13/h8-15,20,23,26,34H,5-7,16-19,21-22H2,1-4H3;5-18,23,25,28-29,34H,4,19-22H2,1-3H3;8-15,17,20H,5-7,16,18-19H2,1-4H3;7-11,19-20,22,27H,4-6,12-18H2,1-3H3,(H,26,30);5-13,18,20,23,26H,4,14-17H2,1-3H3;7-11,17-18,20,23H,4-6,12-16H2,1-3H3;7-11H,6H2,1-5H3;5-9H,4H2,1-3H3
InChIKeyGGLKLHIQQJCKTB-UHFFFAOYSA-N
MW3159.13 g/mol
LogP39.73
Rot. Bonds85

About 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate

1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate (PubChem CID 164986656) has the molecular formula C191H257NO37 and a molecular weight of 3159.13 g/mol. Its IUPAC name is 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate.

Molecular Properties

Compound Name1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate
PubChem CID164986656
Molecular FormulaC191H257NO37
Molecular Weight3159.13 g/mol
Exact Mass3156.83
IUPAC Name1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate
SMILESCCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)=O)cc1.CCC(CC(CC(C)C(=O)OCC(O)COc1ccccc1)c1ccc(OC(C)=O)cc1)c1ccccc1.CCC(CC(CC(C)C(=O)OCCO)c1ccc(OC(C)=O)cc1)c1ccccc1.CCCCNC(=O)OCCOC(=O)C(CC(C)C(=O)OCCO)CC(CC)c1ccccc1.CCCCOC(=O)C(C)CC(C)(CC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCOC(=O)C(CC(C)C(=O)OCCO)CC(C)(CC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCOC(=O)C(CC(C)C(=O)OCCO)CC(CC)c1ccccc1
InChIInChI=1S/C33H42O7.C32H38O6.C28H34O4.C25H39NO7.C25H32O5.C22H34O5.C14H22O.C12H16O2/c1-5-7-17-38-31(36)26(19-23(3)30(35)39-18-16-34)21-33(4,6-2)32(37)40-22-29-27-14-10-8-12-24(27)20-25-13-9-11-15-28(25)29;1-4-25(26-11-7-5-8-12-26)20-28(27-15-17-31(18-16-27)38-24(3)33)19-23(2)32(35)37-22-29(34)21-36-30-13-9-6-10-14-30;1-5-7-16-31-26(29)20(3)18-28(4,6-2)27(30)32-19-25-23-14-10-8-12-21(23)17-22-13-9-11-15-24(22)25;1-4-6-12-26-25(30)33-16-15-32-24(29)22(17-19(3)23(28)31-14-13-27)18-20(5-2)21-10-8-7-9-11-21;1-4-20(21-8-6-5-7-9-21)17-23(16-18(2)25(28)29-15-14-26)22-10-12-24(13-11-22)30-19(3)27;1-4-6-13-26-22(25)20(15-17(3)21(24)27-14-12-23)16-18(5-2)19-10-8-7-9-11-19;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;1-4-9(2)11-5-7-12(8-6-11)14-10(3)13/h8-15,20,23,26,34H,5-7,16-19,21-22H2,1-4H3;5-18,23,25,28-29,34H,4,19-22H2,1-3H3;8-15,17,20H,5-7,16,18-19H2,1-4H3;7-11,19-20,22,27H,4-6,12-18H2,1-3H3,(H,26,30);5-13,18,20,23,26H,4,14-17H2,1-3H3;7-11,17-18,20,23H,4-6,12-16H2,1-3H3;7-11H,6H2,1-5H3;5-9H,4H2,1-3H3
InChIKeyGGLKLHIQQJCKTB-UHFFFAOYSA-N
XLogP39.73
TPSA526.14 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds85
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003159.13
LogP ≤ 539.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate with MolForge

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Launch Full Analysis

Related Compounds

1-O-(2-hydroxy-3-phenoxypropyl) 5-O-(2-methoxyethyl) 2-methyl-4-(2-phenylbutyl)pentanedioate
CID 164793546
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-O-butyl 5-O-(3-hydroxy-1-adamantyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-(2-hydroxy-3-phenoxypropyl) 5-O-(2-methoxyethyl) 2-methyl-4-(2-phenylbutyl)pentanedioate
CID 165106443
1-O-(anthracen-1-ylmethyl) 3-O-ethyl 5-O-(hydroxymethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate
CID 131972240
8-O-(anthracen-9-ylmethyl) 1-O-[2-(anthracen-9-ylmethylideneamino)oxyethyl] 3-O-(2-hydroxyethyl) 6-O-[2-(oxiran-2-yl)ethyl] 1,6,8-trimethyldecane-1,3,6,8-tetracarboxylate
CID 59921372
5-O-butyl 1-O-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl] 2-ethyl-2-methyl-4-(2-phenylpropyl)pentanedioate
CID 59623032
2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate
CID 162466314
5-O-(anthracen-9-ylmethyl) 1-O-(2-hydroxyethyl) 3-O-methyl 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 164793550
hexakis(butan-2-ylbenzene);1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-hydroxyethyl 2,2-dimethylbutanoate;bis(2-hydroxyethyl 2-methylbutanoate);2-hydroxypropyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2,2-dimethylbutanoate
CID 158615530
3-O-butyl 1-O,5-O-bis(2-hydroxyethyl) 1,3-dimethylheptane-1,3,5-tricarboxylate
CID 59383607
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468
4-hydroxybutyl 4-(4-methoxyphenyl)-2-methylhexanoate
CID 23522371
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907

Frequently Asked Questions

What is the IUPAC name of 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate?
The IUPAC name of 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate (CID 164986656) is 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate.
What is the SMILES notation for 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate?
The canonical SMILES for 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate is CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)=O)cc1.CCC(CC(CC(C)C(=O)OCC(O)COc1ccccc1)c1ccc(OC(C)=O)cc1)c1ccccc1.CCC(CC(CC(C)C(=O)OCCO)c1ccc(OC(C)=O)cc1)c1ccccc1.CCCCNC(=O)OCCOC(=O)C(CC(C)C(=O)OCCO)CC(CC)c1ccccc1.CCCCOC(=O)C(C)CC(C)(CC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCOC(=O)C(CC(C)C(=O)OCCO)CC(C)(CC)C(=O)OCc1c2ccccc2cc2ccccc12.CCCCOC(=O)C(CC(C)C(=O)OCCO)CC(CC)c1ccccc1.
What is the InChIKey of 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate?
The InChIKey is GGLKLHIQQJCKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42O7.C32H38O6.C28H34O4.C25H39NO7.C25H32O5.C22H34O5.C14H22O.C12H16O2/c1-5-7-17-38-31(36)26(19-23(3)30(35)39-18-16-34)21-33(4,6-2)32(37)40-22-29-27-14-10-8-12-24(27)20-25-13-9-11-15-28(25)29;1-4-25(26-11-7-5-8-12-26)20-28(27-15-17-31(18-16-27)38-24(3)33)19-23(2)32(35)37-22-29(34)21-36-30-13-9-6-10-14-30;1-5-7-16-31-26(29)20(3)18-28(4,6-2)27(30)32-19-25-23-14-10-8-12-21(23)17-22-13-9-11-15-24(22)25;1-4-6-12-26-25(30)33-16-15-32-24(29)22(17-19(3)23(28)31-14-13-27)18-20(5-2)21-10-8-7-9-11-21;1-4-20(21-8-6-5-7-9-21)17-23(16-18(2)25(28)29-15-14-26)22-10-12-24(13-11-22)30-19(3)27;1-4-6-13-26-22(25)20(15-17(3)21(24)27-14-12-23)16-18(5-2)19-10-8-7-9-11-19;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;1-4-9(2)11-5-7-12(8-6-11)14-10(3)13/h8-15,20,23,26,34H,5-7,16-19,21-22H2,1-4H3;5-18,23,25,28-29,34H,4,19-22H2,1-3H3;8-15,17,20H,5-7,16,18-19H2,1-4H3;7-11,19-20,22,27H,4-6,12-18H2,1-3H3,(H,26,30);5-13,18,20,23,26H,4,14-17H2,1-3H3;7-11,17-18,20,23H,4-6,12-16H2,1-3H3;7-11H,6H2,1-5H3;5-9H,4H2,1-3H3.
What are the key properties of 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate?
1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate has a molecular weight of 3159.13 g/mol, XLogP of 39.73, 85 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(anthracen-9-ylmethyl) 5-O-butyl 2-ethyl-2,4-dimethylpentanedioate;5-O-(anthracen-9-ylmethyl) 3-O-butyl 1-O-(2-hydroxyethyl) 1,5-dimethylheptane-1,3,5-tricarboxylate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;(4-butan-2-ylphenyl) acetate;1-O-[2-(butylcarbamoyloxy)ethyl] 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;1-O-butyl 5-O-(2-hydroxyethyl) 4-methyl-2-(2-phenylbutyl)pentanedioate;2-hydroxyethyl 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate;(2-hydroxy-3-phenoxypropyl) 4-(4-acetyloxyphenyl)-2-methyl-6-phenyloctanoate is sourced from PubChem (CID 164986656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).