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

C38H66O12Si6 — CID 20801350

IUPAC2-[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
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOc1ccc(C(=O)C(=O)OCCOC(=O)C(=O)c2ccc(OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C38H66O12Si6/c1-51(2,3)47-55(11,12)49-53(7,8)29-15-25-43-33-21-17-31(18-22-33)35(39)37(41)45-27-28-46-38(42)36(40)32-19-23-34(24-20-32)44-26-16-30-54(9,10)50-56(13,14)48-52(4,5)6/h17-24H,15-16,25-30H2,1-14H3
InChIKeyVJSYXJSTUYILDB-UHFFFAOYSA-N
MW883.45 g/mol
LogP8.93
Rot. Bonds25

About 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

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 (PubChem CID 20801350) has the molecular formula C38H66O12Si6 and a molecular weight of 883.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID20801350
Molecular FormulaC38H66O12Si6
Molecular Weight883.45 g/mol
Exact Mass882.32
IUPAC Name2-[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
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOc1ccc(C(=O)C(=O)OCCOC(=O)C(=O)c2ccc(OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C38H66O12Si6/c1-51(2,3)47-55(11,12)49-53(7,8)29-15-25-43-33-21-17-31(18-22-33)35(39)37(41)45-27-28-46-38(42)36(40)32-19-23-34(24-20-32)44-26-16-30-54(9,10)50-56(13,14)48-52(4,5)6/h17-24H,15-16,25-30H2,1-14H3
InChIKeyVJSYXJSTUYILDB-UHFFFAOYSA-N
XLogP8.93
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.45
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 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

4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate
CID 58975751
1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 18728701
ethane;methane;methyl 2-[4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-oxoacetate
CID 161327572
[4-[4-[5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]pentoxy]benzoyl]oxy-3-methylphenyl] 4-[5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]pentoxy]benzoate
CID 100914821
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
[3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate
CID 101347668
3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 101031805
(4-butoxyphenyl) 4-[6-[dimethyl(trimethylsilyloxy)silyl]hexoxy]benzoate
CID 19104486
dimethyl-(3-phenoxypropyl)-trimethylsilyloxysilane
CID 19912171
1-[4-[3-[[3-[4-[2-[dimethyl(trimethylsilyloxy)silyl]oxy-2-methylpropanoyl]phenoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one;1-[4-[[[4-(2-hydroxy-2-methylpropanoyl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]-2,2-dimethylpropan-1-one;1-[4-[3-[[[4-(2-hydroxy-2-methylpropanoyl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]propoxy]phenyl]-2,2-dimethylpropan-1-one
CID 157288356
(4-fluorophenyl) 4-[3-[[3-[4-(4-fluorophenoxy)carbonylphenoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]benzoate
CID 70364236
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
CID 157392457

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOc1ccc(C(=O)C(=O)OCCOC(=O)C(=O)c2ccc(OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is VJSYXJSTUYILDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H66O12Si6/c1-51(2,3)47-55(11,12)49-53(7,8)29-15-25-43-33-21-17-31(18-22-33)35(39)37(41)45-27-28-46-38(42)36(40)32-19-23-34(24-20-32)44-26-16-30-54(9,10)50-56(13,14)48-52(4,5)6/h17-24H,15-16,25-30H2,1-14H3.
What are the key properties of 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?
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 has a molecular weight of 883.45 g/mol, XLogP of 8.93, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20801350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).