3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol

C17H42O7Si3 — CID 59850393

IUPAC3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol
SMILESC[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)CO
InChIInChI=1S/C17H42O7Si3/c1-25(2,13-7-10-21-12-9-18)23-27(5,6)24-26(3,4)14-8-11-22-16-17(20)15-19/h17-20H,7-16H2,1-6H3
InChIKeyCYURAYMUPCDZHM-UHFFFAOYSA-N
MW442.77 g/mol
LogP2.29
Rot. Bonds17

About 3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol

3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol (PubChem CID 59850393) has the molecular formula C17H42O7Si3 and a molecular weight of 442.77 g/mol. Its IUPAC name is 3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol
PubChem CID59850393
Molecular FormulaC17H42O7Si3
Molecular Weight442.77 g/mol
Exact Mass442.22
IUPAC Name3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol
SMILESC[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)CO
InChIInChI=1S/C17H42O7Si3/c1-25(2,13-7-10-21-12-9-18)23-27(5,6)24-26(3,4)14-8-11-22-16-17(20)15-19/h17-20H,7-16H2,1-6H3
InChIKeyCYURAYMUPCDZHM-UHFFFAOYSA-N
XLogP2.29
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.77
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol?
The IUPAC name of 3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol (CID 59850393) is 3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol is C[Si](C)(CCCOCCO)O[Si](C)(C)O[Si](C)(C)CCCOCC(O)CO.
What is the InChIKey of 3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol?
The InChIKey is CYURAYMUPCDZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O7Si3/c1-25(2,13-7-10-21-12-9-18)23-27(5,6)24-26(3,4)14-8-11-22-16-17(20)15-19/h17-20H,7-16H2,1-6H3.
What are the key properties of 3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol?
3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol has a molecular weight of 442.77 g/mol, XLogP of 2.29, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol is sourced from PubChem (CID 59850393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).