benzyl triethyl silicate

C13H22O4Si — CID 14245028

IUPACbenzyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)OCc1ccccc1
InChIInChI=1S/C13H22O4Si/c1-4-14-18(15-5-2,16-6-3)17-12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3
InChIKeyHRTOPDILICRARR-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.75
Rot. Bonds9

About benzyl triethyl silicate

benzyl triethyl silicate (PubChem CID 14245028) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is benzyl triethyl silicate.

Molecular Properties

Compound Namebenzyl triethyl silicate
PubChem CID14245028
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namebenzyl triethyl silicate
SMILESCCO[Si](OCC)(OCC)OCc1ccccc1
InChIInChI=1S/C13H22O4Si/c1-4-14-18(15-5-2,16-6-3)17-12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3
InChIKeyHRTOPDILICRARR-UHFFFAOYSA-N
XLogP2.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 benzyl triethyl silicate?
The IUPAC name of benzyl triethyl silicate (CID 14245028) is benzyl triethyl silicate.
What is the SMILES notation for benzyl triethyl silicate?
The canonical SMILES for benzyl triethyl silicate is CCO[Si](OCC)(OCC)OCc1ccccc1.
What is the InChIKey of benzyl triethyl silicate?
The InChIKey is HRTOPDILICRARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-4-14-18(15-5-2,16-6-3)17-12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3.
What are the key properties of benzyl triethyl silicate?
benzyl triethyl silicate has a molecular weight of 270.40 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl triethyl silicate is sourced from PubChem (CID 14245028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).