[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate

C23H29FO4Si — CID 18783252

IUPAC[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate
SMILESCC(=O)OC1CC(F)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1
InChIInChI=1S/C23H29FO4Si/c1-18(25)28-21-15-23(24,16-26-21)17-27-29(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,15-17H2,1-4H3
InChIKeyBHHPTIKPZAOYNN-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.58
Rot. Bonds6

About [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate

[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate (PubChem CID 18783252) has the molecular formula C23H29FO4Si and a molecular weight of 416.57 g/mol. Its IUPAC name is [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate.

Molecular Properties

Compound Name[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate
PubChem CID18783252
Molecular FormulaC23H29FO4Si
Molecular Weight416.57 g/mol
Exact Mass416.18
IUPAC Name[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate
SMILESCC(=O)OC1CC(F)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1
InChIInChI=1S/C23H29FO4Si/c1-18(25)28-21-15-23(24,16-26-21)17-27-29(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,15-17H2,1-4H3
InChIKeyBHHPTIKPZAOYNN-UHFFFAOYSA-N
XLogP3.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate?
The IUPAC name of [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate (CID 18783252) is [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate.
What is the SMILES notation for [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate?
The canonical SMILES for [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate is CC(=O)OC1CC(F)(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1.
What is the InChIKey of [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate?
The InChIKey is BHHPTIKPZAOYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FO4Si/c1-18(25)28-21-15-23(24,16-26-21)17-27-29(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,15-17H2,1-4H3.
What are the key properties of [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate?
[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate has a molecular weight of 416.57 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl] acetate is sourced from PubChem (CID 18783252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).