[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate

C26H35FO4Si — CID 141463019

IUPAC[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate
SMILESCC(=O)OC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(C)(C)F
InChIInChI=1S/C26H35FO4Si/c1-19(28)30-24-23(26(5,6)27)17-20(31-24)18-29-32(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24H,17-18H2,1-6H3/t20-,23+,24?/m0/s1
InChIKeyPASACWTWEJCPQU-NKCAITPYSA-N
MW458.65 g/mol
LogP4.61
Rot. Bonds7

About [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate

[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate (PubChem CID 141463019) has the molecular formula C26H35FO4Si and a molecular weight of 458.65 g/mol. Its IUPAC name is [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate
PubChem CID141463019
Molecular FormulaC26H35FO4Si
Molecular Weight458.65 g/mol
Exact Mass458.23
IUPAC Name[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate
SMILESCC(=O)OC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(C)(C)F
InChIInChI=1S/C26H35FO4Si/c1-19(28)30-24-23(26(5,6)27)17-20(31-24)18-29-32(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24H,17-18H2,1-6H3/t20-,23+,24?/m0/s1
InChIKeyPASACWTWEJCPQU-NKCAITPYSA-N
XLogP4.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 54.61
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 [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate?
The IUPAC name of [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate (CID 141463019) is [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate.
What is the SMILES notation for [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate?
The canonical SMILES for [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate is CC(=O)OC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(C)(C)F.
What is the InChIKey of [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate?
The InChIKey is PASACWTWEJCPQU-NKCAITPYSA-N. The full InChI is InChI=1S/C26H35FO4Si/c1-19(28)30-24-23(26(5,6)27)17-20(31-24)18-29-32(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24H,17-18H2,1-6H3/t20-,23+,24?/m0/s1.
What are the key properties of [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate?
[(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate has a molecular weight of 458.65 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-yl] acetate is sourced from PubChem (CID 141463019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).