tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane

C22H28ClFO2Si — CID 90339250

IUPACtert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@](C)(F)[C@H](Cl)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28ClFO2Si/c1-21(2,3)27(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-16-17-15-22(4,24)20(23)26-17/h5-14,17,20H,15-16H2,1-4H3/t17-,20+,22+/m0/s1
InChIKeyGWRNBYQMEBZJQB-UCNVEGJOSA-N
MW407.00 g/mol
LogP4.64
Rot. Bonds5

About tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane (PubChem CID 90339250) has the molecular formula C22H28ClFO2Si and a molecular weight of 407.00 g/mol. Its IUPAC name is tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane
PubChem CID90339250
Molecular FormulaC22H28ClFO2Si
Molecular Weight407.00 g/mol
Exact Mass406.15
IUPAC Nametert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@](C)(F)[C@H](Cl)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28ClFO2Si/c1-21(2,3)27(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-16-17-15-22(4,24)20(23)26-17/h5-14,17,20H,15-16H2,1-4H3/t17-,20+,22+/m0/s1
InChIKeyGWRNBYQMEBZJQB-UCNVEGJOSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]acetic acid
CID 172751639
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
CID 11101116
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane (CID 90339250) is tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1C[C@@](C)(F)[C@H](Cl)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane?
The InChIKey is GWRNBYQMEBZJQB-UCNVEGJOSA-N. The full InChI is InChI=1S/C22H28ClFO2Si/c1-21(2,3)27(18-11-7-5-8-12-18,19-13-9-6-10-14-19)25-16-17-15-22(4,24)20(23)26-17/h5-14,17,20H,15-16H2,1-4H3/t17-,20+,22+/m0/s1.
What are the key properties of tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane has a molecular weight of 407.00 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 90339250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).