2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol

C19H46O5Si3 — CID 20702526

IUPAC2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(CC)(CO)CO
InChIInChI=1S/C19H46O5Si3/c1-9-11-14-25(3,4)23-27(7,8)24-26(5,6)15-12-13-22-18-19(10-2,16-20)17-21/h20-21H,9-18H2,1-8H3
InChIKeyNCCVIMDKAVCHJA-UHFFFAOYSA-N
MW438.83 g/mol
LogP4.72
Rot. Bonds16

About 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol

2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol (PubChem CID 20702526) has the molecular formula C19H46O5Si3 and a molecular weight of 438.83 g/mol. Its IUPAC name is 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol
PubChem CID20702526
Molecular FormulaC19H46O5Si3
Molecular Weight438.83 g/mol
Exact Mass438.27
IUPAC Name2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(CC)(CO)CO
InChIInChI=1S/C19H46O5Si3/c1-9-11-14-25(3,4)23-27(7,8)24-26(5,6)15-12-13-22-18-19(10-2,16-20)17-21/h20-21H,9-18H2,1-8H3
InChIKeyNCCVIMDKAVCHJA-UHFFFAOYSA-N
XLogP4.72
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.83
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol (CID 20702526) is 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCC(CC)(CO)CO.
What is the InChIKey of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol?
The InChIKey is NCCVIMDKAVCHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46O5Si3/c1-9-11-14-25(3,4)23-27(7,8)24-26(5,6)15-12-13-22-18-19(10-2,16-20)17-21/h20-21H,9-18H2,1-8H3.
What are the key properties of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol?
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol has a molecular weight of 438.83 g/mol, XLogP of 4.72, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 20702526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).