[2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate

C27H30F2O4Si — CID 150721790

IUPAC[2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate
SMILESCOC(COC(C)=O)c1c(F)ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1F
InChIInChI=1S/C27H30F2O4Si/c1-19(30)32-18-24(31-5)25-22(28)16-17-23(26(25)29)33-34(27(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,24H,18H2,1-5H3
InChIKeyJPZXPICORQYZNR-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.15
Rot. Bonds8

About [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate

[2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate (PubChem CID 150721790) has the molecular formula C27H30F2O4Si and a molecular weight of 484.62 g/mol. Its IUPAC name is [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate.

Molecular Properties

Compound Name[2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate
PubChem CID150721790
Molecular FormulaC27H30F2O4Si
Molecular Weight484.62 g/mol
Exact Mass484.19
IUPAC Name[2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate
SMILESCOC(COC(C)=O)c1c(F)ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1F
InChIInChI=1S/C27H30F2O4Si/c1-19(30)32-18-24(31-5)25-22(28)16-17-23(26(25)29)33-34(27(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,24H,18H2,1-5H3
InChIKeyJPZXPICORQYZNR-UHFFFAOYSA-N
XLogP5.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.15
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 [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate?
The IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate (CID 150721790) is [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate.
What is the SMILES notation for [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate?
The canonical SMILES for [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate is COC(COC(C)=O)c1c(F)ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1F.
What is the InChIKey of [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate?
The InChIKey is JPZXPICORQYZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2O4Si/c1-19(30)32-18-24(31-5)25-22(28)16-17-23(26(25)29)33-34(27(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,24H,18H2,1-5H3.
What are the key properties of [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate?
[2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate has a molecular weight of 484.62 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(diphenyl)silyl]oxy-2,6-difluorophenyl]-2-methoxyethyl] acetate is sourced from PubChem (CID 150721790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).