2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol

C16H40O6Si3 — CID 21037506

IUPAC2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol
SMILESCOCCOC(CO)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H40O6Si3/c1-18-11-12-20-16(14-17)15-19-10-9-13-25(8,21-23(2,3)4)22-24(5,6)7/h16-17H,9-15H2,1-8H3
InChIKeyNWXYZYWOMYLEBE-UHFFFAOYSA-N
MW412.75 g/mol
LogP3.19
Rot. Bonds15

About 2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol

2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol (PubChem CID 21037506) has the molecular formula C16H40O6Si3 and a molecular weight of 412.75 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol
PubChem CID21037506
Molecular FormulaC16H40O6Si3
Molecular Weight412.75 g/mol
Exact Mass412.21
IUPAC Name2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol
SMILESCOCCOC(CO)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H40O6Si3/c1-18-11-12-20-16(14-17)15-19-10-9-13-25(8,21-23(2,3)4)22-24(5,6)7/h16-17H,9-15H2,1-8H3
InChIKeyNWXYZYWOMYLEBE-UHFFFAOYSA-N
XLogP3.19
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol?
The IUPAC name of 2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol (CID 21037506) is 2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol?
The canonical SMILES for 2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol is COCCOC(CO)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol?
The InChIKey is NWXYZYWOMYLEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O6Si3/c1-18-11-12-20-16(14-17)15-19-10-9-13-25(8,21-23(2,3)4)22-24(5,6)7/h16-17H,9-15H2,1-8H3.
What are the key properties of 2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol?
2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol has a molecular weight of 412.75 g/mol, XLogP of 3.19, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-1-ol is sourced from PubChem (CID 21037506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).