3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate

C163H321BrO47Si16 — CID 157074620

IUPAC3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C(Br)C(C)C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C1=C(C(=O)O)CCCC1.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C1CC=CCC1C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C1CCC(C)CC1C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CC(C)(C)CC(C)=O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CC(C)C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCC(C)=O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)c1ccc(C(=O)O)cc1C(C)=O
InChIInChI=1S/C23H38O7Si2.C22H44O6Si2.2C21H40O6Si2.C21H44O5Si2.C19H40O5Si2.C18H37BrO6Si2.C18H38O6Si2/c1-7-8-15-31(3,4)30-32(5,6)16-9-12-28-13-14-29-23(27)20-11-10-19(22(25)26)17-21(20)18(2)24;1-7-8-15-29(3,4)28-30(5,6)16-9-12-26-13-14-27-22(25)19-11-10-18(2)17-20(19)21(23)24;2*1-6-7-16-28(2,3)27-29(4,5)17-10-13-25-14-15-26-21(24)19-12-9-8-11-18(19)20(22)23;1-9-10-15-27(5,6)26-28(7,8)16-11-12-24-13-14-25-20(23)18-21(3,4)17-19(2)22;1-7-8-16-25(3,4)24-26(5,6)17-10-13-22-14-15-23-19(21)12-9-11-18(2)20;1-7-8-13-26(3,4)25-27(5,6)14-9-10-23-11-12-24-18(22)16(19)15(2)17(20)21;1-7-8-13-25(3,4)24-26(5,6)14-9-10-22-11-12-23-17(19)15-16(2)18(20)21/h10-11,17H,7-9,12-16H2,1-6H3,(H,25,26);18-20H,7-17H2,1-6H3,(H,23,24);6-17H2,1-5H3,(H,22,23);8-9,18-19H,6-7,10-17H2,1-5H3,(H,22,23);9-18H2,1-8H3;7-17H2,1-6H3;15-16H,7-14H2,1-6H3,(H,20,21);16H,7-15H2,1-6H3,(H,20,21)
InChIKeyACVDOVMAKLXWIQ-UHFFFAOYSA-N
MW3562.59 g/mol
LogP40.03
Rot. Bonds119

About 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate

3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate (PubChem CID 157074620) has the molecular formula C163H321BrO47Si16 and a molecular weight of 3562.59 g/mol. Its IUPAC name is 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate.

Molecular Properties

Compound Name3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate
PubChem CID157074620
Molecular FormulaC163H321BrO47Si16
Molecular Weight3562.59 g/mol
Exact Mass3557.82
IUPAC Name3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C(Br)C(C)C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C1=C(C(=O)O)CCCC1.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C1CC=CCC1C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C1CCC(C)CC1C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CC(C)(C)CC(C)=O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CC(C)C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCC(C)=O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)c1ccc(C(=O)O)cc1C(C)=O
InChIInChI=1S/C23H38O7Si2.C22H44O6Si2.2C21H40O6Si2.C21H44O5Si2.C19H40O5Si2.C18H37BrO6Si2.C18H38O6Si2/c1-7-8-15-31(3,4)30-32(5,6)16-9-12-28-13-14-29-23(27)20-11-10-19(22(25)26)17-21(20)18(2)24;1-7-8-15-29(3,4)28-30(5,6)16-9-12-26-13-14-27-22(25)19-11-10-18(2)17-20(19)21(23)24;2*1-6-7-16-28(2,3)27-29(4,5)17-10-13-25-14-15-26-21(24)19-12-9-8-11-18(19)20(22)23;1-9-10-15-27(5,6)26-28(7,8)16-11-12-24-13-14-25-20(23)18-21(3,4)17-19(2)22;1-7-8-16-25(3,4)24-26(5,6)17-10-13-22-14-15-23-19(21)12-9-11-18(2)20;1-7-8-13-26(3,4)25-27(5,6)14-9-10-23-11-12-24-18(22)16(19)15(2)17(20)21;1-7-8-13-25(3,4)24-26(5,6)14-9-10-22-11-12-23-17(19)15-16(2)18(20)21/h10-11,17H,7-9,12-16H2,1-6H3,(H,25,26);18-20H,7-17H2,1-6H3,(H,23,24);6-17H2,1-5H3,(H,22,23);8-9,18-19H,6-7,10-17H2,1-5H3,(H,22,23);9-18H2,1-8H3;7-17H2,1-6H3;15-16H,7-14H2,1-6H3,(H,20,21);16H,7-15H2,1-6H3,(H,20,21)
InChIKeyACVDOVMAKLXWIQ-UHFFFAOYSA-N
XLogP40.03
TPSA633.09 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds119
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003562.59
LogP ≤ 540.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate with MolForge

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Launch Full Analysis

Related Compounds

2-(2-pentoxyethoxycarbonyl)terephthalic acid
CID 68842974
4-[4-[2-[3-[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-3-carboxyphenyl]-2-[2-[3-[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid
CID 159853491
bis((5-butoxy-5-oxopentyl) 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate);2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]benzoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;[5-(2-methylpropoxy)-5-oxopentyl] 6-[2-(2,2-dimethylbutanoyloxy)ethylcarbamoyloxy]hexanoate
CID 161373038
6-henicosoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69472499
6-undecoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69473502
6-octoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69471913
6-decoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69472503
4-butoxycarbonyl-3-(2-butoxycarbonyl-5-carboxybenzoyl)oxycarbonylbenzoic acid
CID 19380076
12-(2,2-dimethylbutanoylamino)dodecanoic acid;2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]benzoic acid;4-[4-(2-methylbutanoyloxy)butoxy]benzoic acid;2-[2-(2-methylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid;4-[2-(2-methylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2-methylbutanoyloxy)hexanoic acid;3-(2-methylbutanoyloxy)propanoic acid
CID 160900008
2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-(2,2-dimethylbutanoyloxy)ethyl-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 91419034
6-[3-(6-carboxycyclohex-3-ene-1-carbonyl)oxy-2,2-dimethylpropoxy]carbonylcyclohex-3-ene-1-carboxylic acid
CID 20841611
1-[3-acetyl-5-(7-methyl-6-oxooct-7-enoyl)cyclohexyl]-7-methyloct-7-ene-1,6-dione;1-[3-acetyl-5-(7-methyl-6-oxooct-7-enoyl)phenyl]-7-methyloct-7-ene-1,6-dione;bis(5-methyl-4-oxohex-5-enyl) 2,5-diacetylbenzene-1,4-dicarboxylate;1-(3,5-diacetylcyclohexyl)-7-methyloct-7-ene-1,6-dione;1-(3,5-diacetylphenyl)-7-methyloct-7-ene-1,6-dione;2-methylhept-1-en-3-one;7-methyloct-7-ene-2,6-dione;2-methylpent-1-en-3-one;1-phenylethanone
CID 158129318

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate?
The IUPAC name of 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate (CID 157074620) is 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate.
What is the SMILES notation for 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate?
The canonical SMILES for 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate is CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C(Br)C(C)C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C1=C(C(=O)O)CCCC1.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C1CC=CCC1C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C1CCC(C)CC1C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CC(C)(C)CC(C)=O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CC(C)C(=O)O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCC(C)=O.CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)c1ccc(C(=O)O)cc1C(C)=O.
What is the InChIKey of 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate?
The InChIKey is ACVDOVMAKLXWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O7Si2.C22H44O6Si2.2C21H40O6Si2.C21H44O5Si2.C19H40O5Si2.C18H37BrO6Si2.C18H38O6Si2/c1-7-8-15-31(3,4)30-32(5,6)16-9-12-28-13-14-29-23(27)20-11-10-19(22(25)26)17-21(20)18(2)24;1-7-8-15-29(3,4)28-30(5,6)16-9-12-26-13-14-27-22(25)19-11-10-18(2)17-20(19)21(23)24;2*1-6-7-16-28(2,3)27-29(4,5)17-10-13-25-14-15-26-21(24)19-12-9-8-11-18(19)20(22)23;1-9-10-15-27(5,6)26-28(7,8)16-11-12-24-13-14-25-20(23)18-21(3,4)17-19(2)22;1-7-8-16-25(3,4)24-26(5,6)17-10-13-22-14-15-23-19(21)12-9-11-18(2)20;1-7-8-13-26(3,4)25-27(5,6)14-9-10-23-11-12-24-18(22)16(19)15(2)17(20)21;1-7-8-13-25(3,4)24-26(5,6)14-9-10-22-11-12-23-17(19)15-16(2)18(20)21/h10-11,17H,7-9,12-16H2,1-6H3,(H,25,26);18-20H,7-17H2,1-6H3,(H,23,24);6-17H2,1-5H3,(H,22,23);8-9,18-19H,6-7,10-17H2,1-5H3,(H,22,23);9-18H2,1-8H3;7-17H2,1-6H3;15-16H,7-14H2,1-6H3,(H,20,21);16H,7-15H2,1-6H3,(H,20,21).
What are the key properties of 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate?
3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate has a molecular weight of 3562.59 g/mol, XLogP of 40.03, 119 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]benzoic acid;3-bromo-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohexene-1-carboxylic acid;6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]cyclohex-3-ene-1-carboxylic acid;2-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxycarbonyl]-5-methylcyclohexane-1-carboxylic acid;4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobutanoic acid;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 3,3-dimethyl-5-oxohexanoate;2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 5-oxohexanoate is sourced from PubChem (CID 157074620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).