3-triethoxysilylpropane-1,2-diol

C9H22O5Si — CID 87668140

IUPAC3-triethoxysilylpropane-1,2-diol
SMILESCCO[Si](CC(O)CO)(OCC)OCC
InChIInChI=1S/C9H22O5Si/c1-4-12-15(13-5-2,14-6-3)8-9(11)7-10/h9-11H,4-8H2,1-3H3
InChIKeyLVARNHQTYTWMHO-UHFFFAOYSA-N
MW238.36 g/mol
LogP0.39
Rot. Bonds9

About 3-triethoxysilylpropane-1,2-diol

3-triethoxysilylpropane-1,2-diol (PubChem CID 87668140) has the molecular formula C9H22O5Si and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-triethoxysilylpropane-1,2-diol.

Molecular Properties

Compound Name3-triethoxysilylpropane-1,2-diol
PubChem CID87668140
Molecular FormulaC9H22O5Si
Molecular Weight238.36 g/mol
Exact Mass238.12
IUPAC Name3-triethoxysilylpropane-1,2-diol
SMILESCCO[Si](CC(O)CO)(OCC)OCC
InChIInChI=1S/C9H22O5Si/c1-4-12-15(13-5-2,14-6-3)8-9(11)7-10/h9-11H,4-8H2,1-3H3
InChIKeyLVARNHQTYTWMHO-UHFFFAOYSA-N
XLogP0.39
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-trimethoxysilylpropane-1,2-diol
CID 19360934
1-ethoxy-2-triethoxysilylethanol
CID 87970576
3-(2-triethoxysilylethoxy)propane-1,2-diol;hydrate
CID 141037830
2,3-dihydroxypropyl 5-triethoxysilylpentanoate
CID 58321069
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
1-triethoxysilylpropan-2-amine
CID 10236113
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
ethene;ethoxyethane;propane-1,2,3-triol
CID 175604440
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
(3,4-dichloro-2,5-dimethylhexyl)-triethoxysilane
CID 91420779
2-(2-triethoxysilylethylsulfanyl)ethanethiol
CID 13068518
benzyl(triethoxy)silane;propan-2-ol
CID 172724025

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropane-1,2-diol?
The IUPAC name of 3-triethoxysilylpropane-1,2-diol (CID 87668140) is 3-triethoxysilylpropane-1,2-diol.
What is the SMILES notation for 3-triethoxysilylpropane-1,2-diol?
The canonical SMILES for 3-triethoxysilylpropane-1,2-diol is CCO[Si](CC(O)CO)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropane-1,2-diol?
The InChIKey is LVARNHQTYTWMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O5Si/c1-4-12-15(13-5-2,14-6-3)8-9(11)7-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-triethoxysilylpropane-1,2-diol?
3-triethoxysilylpropane-1,2-diol has a molecular weight of 238.36 g/mol, XLogP of 0.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropane-1,2-diol is sourced from PubChem (CID 87668140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).