[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate

C23H30O5Si — CID 161404652

IUPAC[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate
SMILESCC(=O)OC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OO1
InChIInChI=1S/C23H30O5Si/c1-18(24)26-22-17-19(27-28-22)15-16-25-29(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-17H2,1-4H3
InChIKeyVURILIPFXXIEKG-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.56
Rot. Bonds7

About [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate

[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate (PubChem CID 161404652) has the molecular formula C23H30O5Si and a molecular weight of 414.57 g/mol. Its IUPAC name is [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate.

Molecular Properties

Compound Name[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate
PubChem CID161404652
Molecular FormulaC23H30O5Si
Molecular Weight414.57 g/mol
Exact Mass414.19
IUPAC Name[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate
SMILESCC(=O)OC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OO1
InChIInChI=1S/C23H30O5Si/c1-18(24)26-22-17-19(27-28-22)15-16-25-29(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-17H2,1-4H3
InChIKeyVURILIPFXXIEKG-UHFFFAOYSA-N
XLogP3.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate?
The IUPAC name of [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate (CID 161404652) is [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate.
What is the SMILES notation for [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate?
The canonical SMILES for [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate is CC(=O)OC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OO1.
What is the InChIKey of [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate?
The InChIKey is VURILIPFXXIEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5Si/c1-18(24)26-22-17-19(27-28-22)15-16-25-29(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-17H2,1-4H3.
What are the key properties of [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate?
[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate has a molecular weight of 414.57 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl] acetate is sourced from PubChem (CID 161404652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).