[ethyl(diphenyl)silyl] acetate

C16H18O2Si — CID 66773951

IUPAC[ethyl(diphenyl)silyl] acetate
SMILESCC[Si](OC(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O2Si/c1-3-19(18-14(2)17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyZMTCLAMOGGRQEK-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.33
Rot. Bonds4

About [ethyl(diphenyl)silyl] acetate

[ethyl(diphenyl)silyl] acetate (PubChem CID 66773951) has the molecular formula C16H18O2Si and a molecular weight of 270.40 g/mol. Its IUPAC name is [ethyl(diphenyl)silyl] acetate.

Molecular Properties

Compound Name[ethyl(diphenyl)silyl] acetate
PubChem CID66773951
Molecular FormulaC16H18O2Si
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name[ethyl(diphenyl)silyl] acetate
SMILESCC[Si](OC(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O2Si/c1-3-19(18-14(2)17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyZMTCLAMOGGRQEK-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [ethyl(diphenyl)silyl] acetate?
The IUPAC name of [ethyl(diphenyl)silyl] acetate (CID 66773951) is [ethyl(diphenyl)silyl] acetate.
What is the SMILES notation for [ethyl(diphenyl)silyl] acetate?
The canonical SMILES for [ethyl(diphenyl)silyl] acetate is CC[Si](OC(C)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [ethyl(diphenyl)silyl] acetate?
The InChIKey is ZMTCLAMOGGRQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2Si/c1-3-19(18-14(2)17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3.
What are the key properties of [ethyl(diphenyl)silyl] acetate?
[ethyl(diphenyl)silyl] acetate has a molecular weight of 270.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(diphenyl)silyl] acetate is sourced from PubChem (CID 66773951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).