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

C16H38O7Si2 — CID 19856298

IUPAC3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol
SMILESC[Si](C)(CCCOCC(O)CO)O[Si](C)(C)CCCOCC(O)CO
InChIInChI=1S/C16H38O7Si2/c1-24(2,9-5-7-21-13-15(19)11-17)23-25(3,4)10-6-8-22-14-16(20)12-18/h15-20H,5-14H2,1-4H3
InChIKeyVDFDROHFZHQOIT-UHFFFAOYSA-N
MW398.65 g/mol
LogP0.93
Rot. Bonds16

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

3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol (PubChem CID 19856298) has the molecular formula C16H38O7Si2 and a molecular weight of 398.65 g/mol. Its IUPAC name is 3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol
PubChem CID19856298
Molecular FormulaC16H38O7Si2
Molecular Weight398.65 g/mol
Exact Mass398.22
IUPAC Name3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol
SMILESC[Si](C)(CCCOCC(O)CO)O[Si](C)(C)CCCOCC(O)CO
InChIInChI=1S/C16H38O7Si2/c1-24(2,9-5-7-21-13-15(19)11-17)23-25(3,4)10-6-8-22-14-16(20)12-18/h15-20H,5-14H2,1-4H3
InChIKeyVDFDROHFZHQOIT-UHFFFAOYSA-N
XLogP0.93
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.65
LogP ≤ 50.93
H-Bond Donors ≤ 54
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-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol?
The IUPAC name of 3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol (CID 19856298) is 3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol is C[Si](C)(CCCOCC(O)CO)O[Si](C)(C)CCCOCC(O)CO.
What is the InChIKey of 3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol?
The InChIKey is VDFDROHFZHQOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O7Si2/c1-24(2,9-5-7-21-13-15(19)11-17)23-25(3,4)10-6-8-22-14-16(20)12-18/h15-20H,5-14H2,1-4H3.
What are the key properties of 3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol?
3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol has a molecular weight of 398.65 g/mol, XLogP of 0.93, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(2,3-dihydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol is sourced from PubChem (CID 19856298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).