2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate)

C224H381NO80 — CID 162131047

IUPAC2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate)
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)c1cccc(C(C)(C)CC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)c1.COC(=O)OCC(C)OC(=O)CCc1cccc(CCC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)c1.COC(=O)OCC(C)OC(=O)Cc1ccc(Cc2ccc(CC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)cc2)cc1.COC(=O)OCC(C)OC(=O)Cc1ccc(NC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)cc1.COC(=O)OCC(C)OC(=O)Cc1cccc(CC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)c1
InChIInChI=1S/C33H42O11.C32H48O11.C28H40O11.C26H36O11.C25H35NO11.5C11H20O5.10C2H6.5CH4/c1-22(19-41-31(39)40-6)44-28(35)17-26-13-9-24(10-14-26)15-23-7-11-25(12-8-23)16-27(34)42-20-33(5,30(37)38)21-43-29(36)18-32(2,3)4;1-21(18-40-28(38)39-10)43-26(35)17-31(7,8)23-13-11-12-22(14-23)30(5,6)16-25(34)42-20-32(9,27(36)37)19-41-24(33)15-29(2,3)4;1-19(16-36-26(34)35-6)39-23(30)13-11-21-9-7-8-20(14-21)10-12-22(29)37-17-28(5,25(32)33)18-38-24(31)15-27(2,3)4;1-17(14-34-24(32)33-6)37-21(28)12-19-9-7-8-18(10-19)11-20(27)35-15-26(5,23(30)31)16-36-22(29)13-25(2,3)4;1-16(13-34-23(32)33-6)37-19(27)11-17-7-9-18(10-8-17)26-22(31)36-15-25(5,21(29)30)14-35-20(28)12-24(2,3)4;5*1-8(7-15-10(13)14-5)16-9(12)6-11(2,3)4;10*1-2;;;;;/h7-14,22H,15-21H2,1-6H3,(H,37,38);11-14,21H,15-20H2,1-10H3,(H,36,37);7-9,14,19H,10-13,15-18H2,1-6H3,(H,32,33);7-10,17H,11-16H2,1-6H3,(H,30,31);7-10,16H,11-15H2,1-6H3,(H,26,31)(H,29,30);5*8H,6-7H2,1-5H3;10*1-2H3;5*1H4
InChIKeyZIQYTZOICHZLRU-UHFFFAOYSA-N
MW4368.44 g/mol
LogP44.71
Rot. Bonds90

About 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate)

2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate) (PubChem CID 162131047) has the molecular formula C224H381NO80 and a molecular weight of 4368.44 g/mol. Its IUPAC name is 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate).

Molecular Properties

Compound Name2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate)
PubChem CID162131047
Molecular FormulaC224H381NO80
Molecular Weight4368.44 g/mol
Exact Mass4365.58
IUPAC Name2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate)
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)c1cccc(C(C)(C)CC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)c1.COC(=O)OCC(C)OC(=O)CCc1cccc(CCC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)c1.COC(=O)OCC(C)OC(=O)Cc1ccc(Cc2ccc(CC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)cc2)cc1.COC(=O)OCC(C)OC(=O)Cc1ccc(NC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)cc1.COC(=O)OCC(C)OC(=O)Cc1cccc(CC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)c1
InChIInChI=1S/C33H42O11.C32H48O11.C28H40O11.C26H36O11.C25H35NO11.5C11H20O5.10C2H6.5CH4/c1-22(19-41-31(39)40-6)44-28(35)17-26-13-9-24(10-14-26)15-23-7-11-25(12-8-23)16-27(34)42-20-33(5,30(37)38)21-43-29(36)18-32(2,3)4;1-21(18-40-28(38)39-10)43-26(35)17-31(7,8)23-13-11-12-22(14-23)30(5,6)16-25(34)42-20-32(9,27(36)37)19-41-24(33)15-29(2,3)4;1-19(16-36-26(34)35-6)39-23(30)13-11-21-9-7-8-20(14-21)10-12-22(29)37-17-28(5,25(32)33)18-38-24(31)15-27(2,3)4;1-17(14-34-24(32)33-6)37-21(28)12-19-9-7-8-18(10-19)11-20(27)35-15-26(5,23(30)31)16-36-22(29)13-25(2,3)4;1-16(13-34-23(32)33-6)37-19(27)11-17-7-9-18(10-8-17)26-22(31)36-15-25(5,21(29)30)14-35-20(28)12-24(2,3)4;5*1-8(7-15-10(13)14-5)16-9(12)6-11(2,3)4;10*1-2;;;;;/h7-14,22H,15-21H2,1-6H3,(H,37,38);11-14,21H,15-20H2,1-10H3,(H,36,37);7-9,14,19H,10-13,15-18H2,1-6H3,(H,32,33);7-10,17H,11-16H2,1-6H3,(H,30,31);7-10,16H,11-15H2,1-6H3,(H,26,31)(H,29,30);5*8H,6-7H2,1-5H3;10*1-2H3;5*1H4
InChIKeyZIQYTZOICHZLRU-UHFFFAOYSA-N
XLogP44.71
TPSA1079.83 Ų
H-Bond Donors6
H-Bond Acceptors75
Rotatable Bonds90
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004368.44
LogP ≤ 544.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1075

Analyze 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate) with MolForge

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Launch Full Analysis

Related Compounds

1-(phenylcarbamoyloxy)propan-2-yl 3-methyl-4-[1-(2-phenylacetyl)oxypropan-2-yloxycarbonylamino]butanoate
CID 158604794
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013678
2-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoyloxymethyl]-3-methoxy-2-methylpropanoic acid;1,3-dioxo-2-benzofuran-5-carboxylic acid;[1-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoyloxymethyl]-3-methoxy-2-methylpropanoate;1-methoxypropan-2-yl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 158583848
2,3-bis(phenylcarbamoyloxy)propyl N-phenylcarbamate;1-(phenylcarbamoyloxy)propan-2-yl 3-methyl-4-[1-(2-phenylacetyl)oxypropan-2-yloxycarbonylamino]butanoate
CID 158604793
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
methyl 2-[3-(3,3-dimethylbutyl)phenyl]acetate
CID 163670112
2-[[3-(3,3-dimethylbutoxycarbonylamino)-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-(3,3-dimethylbutoxy)-2-oxoethyl]-4-methylphenyl]acetate
CID 164956363
1-[3-[3-[3-oxo-3-(2-phenoxyethoxy)propyl]phenyl]propanoyloxy]propan-2-yl benzoate
CID 158213707
benzyl 3-(3-tert-butylphenyl)propanoate
CID 57323126
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3,3-dimethylbutanoate
CID 7950830
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874804
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate)?
The IUPAC name of 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate) (CID 162131047) is 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate).
What is the SMILES notation for 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate)?
The canonical SMILES for 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate) is C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)C.COC(=O)OCC(C)OC(=O)CC(C)(C)c1cccc(C(C)(C)CC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)c1.COC(=O)OCC(C)OC(=O)CCc1cccc(CCC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)c1.COC(=O)OCC(C)OC(=O)Cc1ccc(Cc2ccc(CC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)cc2)cc1.COC(=O)OCC(C)OC(=O)Cc1ccc(NC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)cc1.COC(=O)OCC(C)OC(=O)Cc1cccc(CC(=O)OCC(C)(COC(=O)CC(C)(C)C)C(=O)O)c1.
What is the InChIKey of 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate)?
The InChIKey is ZIQYTZOICHZLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42O11.C32H48O11.C28H40O11.C26H36O11.C25H35NO11.5C11H20O5.10C2H6.5CH4/c1-22(19-41-31(39)40-6)44-28(35)17-26-13-9-24(10-14-26)15-23-7-11-25(12-8-23)16-27(34)42-20-33(5,30(37)38)21-43-29(36)18-32(2,3)4;1-21(18-40-28(38)39-10)43-26(35)17-31(7,8)23-13-11-12-22(14-23)30(5,6)16-25(34)42-20-32(9,27(36)37)19-41-24(33)15-29(2,3)4;1-19(16-36-26(34)35-6)39-23(30)13-11-21-9-7-8-20(14-21)10-12-22(29)37-17-28(5,25(32)33)18-38-24(31)15-27(2,3)4;1-17(14-34-24(32)33-6)37-21(28)12-19-9-7-8-18(10-19)11-20(27)35-15-26(5,23(30)31)16-36-22(29)13-25(2,3)4;1-16(13-34-23(32)33-6)37-19(27)11-17-7-9-18(10-8-17)26-22(31)36-15-25(5,21(29)30)14-35-20(28)12-24(2,3)4;5*1-8(7-15-10(13)14-5)16-9(12)6-11(2,3)4;10*1-2;;;;;/h7-14,22H,15-21H2,1-6H3,(H,37,38);11-14,21H,15-20H2,1-10H3,(H,36,37);7-9,14,19H,10-13,15-18H2,1-6H3,(H,32,33);7-10,17H,11-16H2,1-6H3,(H,30,31);7-10,16H,11-15H2,1-6H3,(H,26,31)(H,29,30);5*8H,6-7H2,1-5H3;10*1-2H3;5*1H4.
What are the key properties of 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate)?
2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate) has a molecular weight of 4368.44 g/mol, XLogP of 44.71, 90 rotatable bonds, 6 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[4-(1-methoxycarbonyloxypropan-2-yloxy)-2-methyl-4-oxobutan-2-yl]phenyl]-3-methylbutanoyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[3-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]carbamoyloxy]-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[2-[4-[[4-[2-(1-methoxycarbonyloxypropan-2-yloxy)-2-oxoethyl]phenyl]methyl]phenyl]acetyl]oxy-2-methylpropanoic acid;2-(3,3-dimethylbutanoyloxymethyl)-3-[3-[3-[3-(1-methoxycarbonyloxypropan-2-yloxy)-3-oxopropyl]phenyl]propanoyloxy]-2-methylpropanoic acid;ethane;methane;pentakis(1-methoxycarbonyloxypropan-2-yl 3,3-dimethylbutanoate) is sourced from PubChem (CID 162131047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).