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

C10H18O5Si — CID 69400081

IUPAC3-(2-trimethoxysilylethyl)-2H-pyran-2-ol
SMILESCO[Si](CCC1=CC=COC1O)(OC)OC
InChIInChI=1S/C10H18O5Si/c1-12-16(13-2,14-3)8-6-9-5-4-7-15-10(9)11/h4-5,7,10-11H,6,8H2,1-3H3
InChIKeyJVWPMDPRZRYDER-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.04
Rot. Bonds6

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

3-(2-trimethoxysilylethyl)-2H-pyran-2-ol (PubChem CID 69400081) has the molecular formula C10H18O5Si and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(2-trimethoxysilylethyl)-2H-pyran-2-ol.

Molecular Properties

Compound Name3-(2-trimethoxysilylethyl)-2H-pyran-2-ol
PubChem CID69400081
Molecular FormulaC10H18O5Si
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name3-(2-trimethoxysilylethyl)-2H-pyran-2-ol
SMILESCO[Si](CCC1=CC=COC1O)(OC)OC
InChIInChI=1S/C10H18O5Si/c1-12-16(13-2,14-3)8-6-9-5-4-7-15-10(9)11/h4-5,7,10-11H,6,8H2,1-3H3
InChIKeyJVWPMDPRZRYDER-UHFFFAOYSA-N
XLogP1.04
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.04
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-trimethoxysilylethyl)-2H-pyran-2-ol?
The IUPAC name of 3-(2-trimethoxysilylethyl)-2H-pyran-2-ol (CID 69400081) is 3-(2-trimethoxysilylethyl)-2H-pyran-2-ol.
What is the SMILES notation for 3-(2-trimethoxysilylethyl)-2H-pyran-2-ol?
The canonical SMILES for 3-(2-trimethoxysilylethyl)-2H-pyran-2-ol is CO[Si](CCC1=CC=COC1O)(OC)OC.
What is the InChIKey of 3-(2-trimethoxysilylethyl)-2H-pyran-2-ol?
The InChIKey is JVWPMDPRZRYDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5Si/c1-12-16(13-2,14-3)8-6-9-5-4-7-15-10(9)11/h4-5,7,10-11H,6,8H2,1-3H3.
What are the key properties of 3-(2-trimethoxysilylethyl)-2H-pyran-2-ol?
3-(2-trimethoxysilylethyl)-2H-pyran-2-ol has a molecular weight of 246.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethoxysilylethyl)-2H-pyran-2-ol is sourced from PubChem (CID 69400081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).