tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane

C14H29FO4Si — CID 11695247

IUPACtert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H](F)O[C@H]1C
InChIInChI=1S/C14H29FO4Si/c1-9-10(16-5)11(12(17-6)13(15)18-9)19-20(7,8)14(2,3)4/h9-13H,1-8H3/t9-,10-,11+,12+,13+/m0/s1
InChIKeyLWULIEQPESBGQR-KIJLLGNVSA-N
MW308.47 g/mol
LogP3.12
Rot. Bonds4

About tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane (PubChem CID 11695247) has the molecular formula C14H29FO4Si and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
PubChem CID11695247
Molecular FormulaC14H29FO4Si
Molecular Weight308.47 g/mol
Exact Mass308.18
IUPAC Nametert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H](F)O[C@H]1C
InChIInChI=1S/C14H29FO4Si/c1-9-10(16-5)11(12(17-6)13(15)18-9)19-20(7,8)14(2,3)4/h9-13H,1-8H3/t9-,10-,11+,12+,13+/m0/s1
InChIKeyLWULIEQPESBGQR-KIJLLGNVSA-N
XLogP3.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane
CID 44420168
3-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]propan-1-ol
CID 44438951
Tert-butyl-dimethyl-(oxan-2-ylmethoxy)silane
CID 54753890
(3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70882713
(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70882714
(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70883019
(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 144014423
[3,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 53747119
Tris(ethyldimethylsilyl)-1,2-deoxyglucose
CID 91758707
Tris(ethyldimethylsilyl)-1,2-deoxygalactose
CID 91758715
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol
CID 134968201
tert-butyl-[(2S,3R,4S,5S)-6-fluoro-4,5-dimethoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 10946782

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane (CID 11695247) is tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane is CO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H](F)O[C@H]1C.
What is the InChIKey of tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is LWULIEQPESBGQR-KIJLLGNVSA-N. The full InChI is InChI=1S/C14H29FO4Si/c1-9-10(16-5)11(12(17-6)13(15)18-9)19-20(7,8)14(2,3)4/h9-13H,1-8H3/t9-,10-,11+,12+,13+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 308.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 11695247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).