3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate

C11H28O7Si — CID 141037830

IUPAC3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate
SMILESCCO[Si](CCOCC(O)CO)(OCC)OCC.O
InChIInChI=1S/C11H26O6Si.H2O/c1-4-15-18(16-5-2,17-6-3)8-7-14-10-11(13)9-12;/h11-13H,4-10H2,1-3H3;1H2
InChIKeyXTFBZXHMAWMSBY-UHFFFAOYSA-N
MW300.42 g/mol
LogP-0.42
Rot. Bonds12

About 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate

3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate (PubChem CID 141037830) has the molecular formula C11H28O7Si and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate.

Molecular Properties

Compound Name3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate
PubChem CID141037830
Molecular FormulaC11H28O7Si
Molecular Weight300.42 g/mol
Exact Mass300.16
IUPAC Name3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate
SMILESCCO[Si](CCOCC(O)CO)(OCC)OCC.O
InChIInChI=1S/C11H26O6Si.H2O/c1-4-15-18(16-5-2,17-6-3)8-7-14-10-11(13)9-12;/h11-13H,4-10H2,1-3H3;1H2
InChIKeyXTFBZXHMAWMSBY-UHFFFAOYSA-N
XLogP-0.42
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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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Related Compounds

3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683
3-triethoxysilylpropane-1,2-diol
CID 87668140
2,3-dihydroxypropyl 5-triethoxysilylpentanoate
CID 58321069
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-decoxypropane-1,2-diol;ethoxyethane
CID 86708450
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
3-[(E)-dec-5-enoxy]propane-1,2-diol
CID 101275410

Frequently Asked Questions

What is the IUPAC name of 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate?
The IUPAC name of 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate (CID 141037830) is 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate.
What is the SMILES notation for 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate?
The canonical SMILES for 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate is CCO[Si](CCOCC(O)CO)(OCC)OCC.O.
What is the InChIKey of 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate?
The InChIKey is XTFBZXHMAWMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O6Si.H2O/c1-4-15-18(16-5-2,17-6-3)8-7-14-10-11(13)9-12;/h11-13H,4-10H2,1-3H3;1H2.
What are the key properties of 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate?
3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate has a molecular weight of 300.42 g/mol, XLogP of -0.42, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate is sourced from PubChem (CID 141037830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).