methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate

C21H54O9Si6 — CID 18739351

IUPACmethyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate
SMILESCCCOCCOC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CC(=O)OC)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C21H54O9Si6/c1-15-16-24-17-18-25-20-36(14,29-34(11,12)27-32(6,7)8)30-35(13,19-21(22)23-2)28-33(9,10)26-31(3,4)5/h15-20H2,1-14H3
InChIKeyWTZCJUULHOQZTG-UHFFFAOYSA-N
MW619.17 g/mol
LogP5.44
Rot. Bonds19

About methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate

methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate (PubChem CID 18739351) has the molecular formula C21H54O9Si6 and a molecular weight of 619.17 g/mol. Its IUPAC name is methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate
PubChem CID18739351
Molecular FormulaC21H54O9Si6
Molecular Weight619.17 g/mol
Exact Mass618.24
IUPAC Namemethyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate
SMILESCCCOCCOC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CC(=O)OC)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C21H54O9Si6/c1-15-16-24-17-18-25-20-36(14,29-34(11,12)27-32(6,7)8)30-35(13,19-21(22)23-2)28-33(9,10)26-31(3,4)5/h15-20H2,1-14H3
InChIKeyWTZCJUULHOQZTG-UHFFFAOYSA-N
XLogP5.44
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.17
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate?
The IUPAC name of methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate (CID 18739351) is methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate.
What is the SMILES notation for methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate?
The canonical SMILES for methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate is CCCOCCOC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CC(=O)OC)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate?
The InChIKey is WTZCJUULHOQZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H54O9Si6/c1-15-16-24-17-18-25-20-36(14,29-34(11,12)27-32(6,7)8)30-35(13,19-21(22)23-2)28-33(9,10)26-31(3,4)5/h15-20H2,1-14H3.
What are the key properties of methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate?
methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate has a molecular weight of 619.17 g/mol, XLogP of 5.44, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(2-propoxyethoxymethyl)silyl]oxy-methylsilyl]acetate is sourced from PubChem (CID 18739351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).