3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol

C20H48O5Si3 — CID 140891429

IUPAC3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol
SMILESCC[Si](CC)(CC)O[Si](CC)(CCCOCC(O)CO)O[Si](CC)(CC)CC
InChIInChI=1S/C20H48O5Si3/c1-8-26(9-2,10-3)24-28(14-7,25-27(11-4,12-5)13-6)17-15-16-23-19-20(22)18-21/h20-22H,8-19H2,1-7H3
InChIKeyUIUWVKNZDNKOHS-UHFFFAOYSA-N
MW452.86 g/mol
LogP5.25
Rot. Bonds18

About 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol

3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol (PubChem CID 140891429) has the molecular formula C20H48O5Si3 and a molecular weight of 452.86 g/mol. Its IUPAC name is 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol
PubChem CID140891429
Molecular FormulaC20H48O5Si3
Molecular Weight452.86 g/mol
Exact Mass452.28
IUPAC Name3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol
SMILESCC[Si](CC)(CC)O[Si](CC)(CCCOCC(O)CO)O[Si](CC)(CC)CC
InChIInChI=1S/C20H48O5Si3/c1-8-26(9-2,10-3)24-28(14-7,25-27(11-4,12-5)13-6)17-15-16-23-19-20(22)18-21/h20-22H,8-19H2,1-7H3
InChIKeyUIUWVKNZDNKOHS-UHFFFAOYSA-N
XLogP5.25
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.86
LogP ≤ 55.25
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 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol?
The IUPAC name of 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol (CID 140891429) is 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol is CC[Si](CC)(CC)O[Si](CC)(CCCOCC(O)CO)O[Si](CC)(CC)CC.
What is the InChIKey of 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol?
The InChIKey is UIUWVKNZDNKOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48O5Si3/c1-8-26(9-2,10-3)24-28(14-7,25-27(11-4,12-5)13-6)17-15-16-23-19-20(22)18-21/h20-22H,8-19H2,1-7H3.
What are the key properties of 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol?
3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol has a molecular weight of 452.86 g/mol, XLogP of 5.25, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl-bis(triethylsilyloxy)silyl]propoxy]propane-1,2-diol is sourced from PubChem (CID 140891429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).