3-(2-triethoxysilylethyl)-2H-pyran-2-ol

C13H24O5Si — CID 69400903

IUPAC3-(2-triethoxysilylethyl)-2H-pyran-2-ol
SMILESCCO[Si](CCC1=CC=COC1O)(OCC)OCC
InChIInChI=1S/C13H24O5Si/c1-4-16-19(17-5-2,18-6-3)11-9-12-8-7-10-15-13(12)14/h7-8,10,13-14H,4-6,9,11H2,1-3H3
InChIKeyZTLPOZYGGJWFNN-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.21
Rot. Bonds9

About 3-(2-triethoxysilylethyl)-2H-pyran-2-ol

3-(2-triethoxysilylethyl)-2H-pyran-2-ol (PubChem CID 69400903) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(2-triethoxysilylethyl)-2H-pyran-2-ol.

Molecular Properties

Compound Name3-(2-triethoxysilylethyl)-2H-pyran-2-ol
PubChem CID69400903
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name3-(2-triethoxysilylethyl)-2H-pyran-2-ol
SMILESCCO[Si](CCC1=CC=COC1O)(OCC)OCC
InChIInChI=1S/C13H24O5Si/c1-4-16-19(17-5-2,18-6-3)11-9-12-8-7-10-15-13(12)14/h7-8,10,13-14H,4-6,9,11H2,1-3H3
InChIKeyZTLPOZYGGJWFNN-UHFFFAOYSA-N
XLogP2.21
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-triethoxysilylethyl)-2H-pyran-2-ol?
The IUPAC name of 3-(2-triethoxysilylethyl)-2H-pyran-2-ol (CID 69400903) is 3-(2-triethoxysilylethyl)-2H-pyran-2-ol.
What is the SMILES notation for 3-(2-triethoxysilylethyl)-2H-pyran-2-ol?
The canonical SMILES for 3-(2-triethoxysilylethyl)-2H-pyran-2-ol is CCO[Si](CCC1=CC=COC1O)(OCC)OCC.
What is the InChIKey of 3-(2-triethoxysilylethyl)-2H-pyran-2-ol?
The InChIKey is ZTLPOZYGGJWFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-4-16-19(17-5-2,18-6-3)11-9-12-8-7-10-15-13(12)14/h7-8,10,13-14H,4-6,9,11H2,1-3H3.
What are the key properties of 3-(2-triethoxysilylethyl)-2H-pyran-2-ol?
3-(2-triethoxysilylethyl)-2H-pyran-2-ol has a molecular weight of 288.42 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-triethoxysilylethyl)-2H-pyran-2-ol is sourced from PubChem (CID 69400903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).