2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate

C14H34O5Si2 — CID 165045281

IUPAC2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate
SMILESC=COCCC[Si](C)(C)O[Si](C)(C)CCCOCCO.O
InChIInChI=1S/C14H32O4Si2.H2O/c1-6-16-10-7-13-19(2,3)18-20(4,5)14-8-11-17-12-9-15;/h6,15H,1,7-14H2,2-5H3;1H2
InChIKeyYZURGUBKKGLXTE-UHFFFAOYSA-N
MW338.59 g/mol
LogP2.54
Rot. Bonds13

About 2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate

2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate (PubChem CID 165045281) has the molecular formula C14H34O5Si2 and a molecular weight of 338.59 g/mol. Its IUPAC name is 2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate.

Molecular Properties

Compound Name2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate
PubChem CID165045281
Molecular FormulaC14H34O5Si2
Molecular Weight338.59 g/mol
Exact Mass338.19
IUPAC Name2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate
SMILESC=COCCC[Si](C)(C)O[Si](C)(C)CCCOCCO.O
InChIInChI=1S/C14H32O4Si2.H2O/c1-6-16-10-7-13-19(2,3)18-20(4,5)14-8-11-17-12-9-15;/h6,15H,1,7-14H2,2-5H3;1H2
InChIKeyYZURGUBKKGLXTE-UHFFFAOYSA-N
XLogP2.54
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate?
The IUPAC name of 2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate (CID 165045281) is 2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate.
What is the SMILES notation for 2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate?
The canonical SMILES for 2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate is C=COCCC[Si](C)(C)O[Si](C)(C)CCCOCCO.O.
What is the InChIKey of 2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate?
The InChIKey is YZURGUBKKGLXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O4Si2.H2O/c1-6-16-10-7-13-19(2,3)18-20(4,5)14-8-11-17-12-9-15;/h6,15H,1,7-14H2,2-5H3;1H2.
What are the key properties of 2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate?
2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate has a molecular weight of 338.59 g/mol, XLogP of 2.54, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-ethenoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethanol;hydrate is sourced from PubChem (CID 165045281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).