ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate

C72H106O26Si8 — CID 158486381

IUPACethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate
SMILESCCCOc1ccc(C(=O)C(=O)OCC)cc1.CCOC(=O)C(=O)c1ccc(OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(Oc2ccc(C(=O)C(=O)OCC)cc2)O[Si](C)(C)C)cc1.CCOC(=O)C(=O)c1ccc(O[Si](C)(O[Si](C)(C)C)O[Si](C)(Oc2ccc(C(=O)C(=O)OCC)cc2)O[Si](C)(C)C)cc1
InChIInChI=1S/C31H48O11Si4.C28H42O11Si4.C13H16O4/c1-11-36-30(34)28(32)24-14-18-26(19-15-24)38-22-13-23-45(9,40-43(3,4)5)42-46(10,41-44(6,7)8)39-27-20-16-25(17-21-27)29(33)31(35)37-12-2;1-11-33-27(31)25(29)21-13-17-23(18-14-21)35-42(9,37-40(3,4)5)39-43(10,38-41(6,7)8)36-24-19-15-22(16-20-24)26(30)28(32)34-12-2;1-3-9-17-11-7-5-10(6-8-11)12(14)13(15)16-4-2/h14-21H,11-13,22-23H2,1-10H3;13-20H,11-12H2,1-10H3;5-8H,3-4,9H2,1-2H3
InChIKeyHIDMODHARLCZCA-UHFFFAOYSA-N
MW1612.30 g/mol
LogP14.10
Rot. Bonds41

About ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate

ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate (PubChem CID 158486381) has the molecular formula C72H106O26Si8 and a molecular weight of 1612.30 g/mol. Its IUPAC name is ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate
PubChem CID158486381
Molecular FormulaC72H106O26Si8
Molecular Weight1612.30 g/mol
Exact Mass1610.51
IUPAC Nameethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate
SMILESCCCOc1ccc(C(=O)C(=O)OCC)cc1.CCOC(=O)C(=O)c1ccc(OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(Oc2ccc(C(=O)C(=O)OCC)cc2)O[Si](C)(C)C)cc1.CCOC(=O)C(=O)c1ccc(O[Si](C)(O[Si](C)(C)C)O[Si](C)(Oc2ccc(C(=O)C(=O)OCC)cc2)O[Si](C)(C)C)cc1
InChIInChI=1S/C31H48O11Si4.C28H42O11Si4.C13H16O4/c1-11-36-30(34)28(32)24-14-18-26(19-15-24)38-22-13-23-45(9,40-43(3,4)5)42-46(10,41-44(6,7)8)39-27-20-16-25(17-21-27)29(33)31(35)37-12-2;1-11-33-27(31)25(29)21-13-17-23(18-14-21)35-42(9,37-40(3,4)5)39-43(10,38-41(6,7)8)36-24-19-15-22(16-20-24)26(30)28(32)34-12-2;1-3-9-17-11-7-5-10(6-8-11)12(14)13(15)16-4-2/h14-21H,11-13,22-23H2,1-10H3;13-20H,11-12H2,1-10H3;5-8H,3-4,9H2,1-2H3
InChIKeyHIDMODHARLCZCA-UHFFFAOYSA-N
XLogP14.10
TPSA318.38 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001612.30
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate with MolForge

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Related Compounds

ethane;methane;methyl 2-[4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-oxoacetate
CID 161327572
2-[2-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-oxoacetyl]oxyethyl 2-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-oxoacetate
CID 20801350
2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one
CID 90949079
(4-propoxyphenyl) 4-[3-[hydroxy(dimethyl)silyl]propoxy]benzoate
CID 54221559
ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-decoxybenzoate
CID 3706251
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
ethyl 2-(4-dodecylphenyl)-2-oxoacetate
CID 141306424
ethyl 2-(4-hydroxyphenyl)-2-oxoacetate
CID 11715332
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
(4-pentylphenyl) 2-chloro-4-[4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]benzoyl]oxybenzoate
CID 59428917
2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
CID 116747099

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate?
The IUPAC name of ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate (CID 158486381) is ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate?
The canonical SMILES for ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate is CCCOc1ccc(C(=O)C(=O)OCC)cc1.CCOC(=O)C(=O)c1ccc(OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(Oc2ccc(C(=O)C(=O)OCC)cc2)O[Si](C)(C)C)cc1.CCOC(=O)C(=O)c1ccc(O[Si](C)(O[Si](C)(C)C)O[Si](C)(Oc2ccc(C(=O)C(=O)OCC)cc2)O[Si](C)(C)C)cc1.
What is the InChIKey of ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate?
The InChIKey is HIDMODHARLCZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O11Si4.C28H42O11Si4.C13H16O4/c1-11-36-30(34)28(32)24-14-18-26(19-15-24)38-22-13-23-45(9,40-43(3,4)5)42-46(10,41-44(6,7)8)39-27-20-16-25(17-21-27)29(33)31(35)37-12-2;1-11-33-27(31)25(29)21-13-17-23(18-14-21)35-42(9,37-40(3,4)5)39-43(10,38-41(6,7)8)36-24-19-15-22(16-20-24)26(30)28(32)34-12-2;1-3-9-17-11-7-5-10(6-8-11)12(14)13(15)16-4-2/h14-21H,11-13,22-23H2,1-10H3;13-20H,11-12H2,1-10H3;5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate?
ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate has a molecular weight of 1612.30 g/mol, XLogP of 14.10, 41 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate is sourced from PubChem (CID 158486381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).