[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane

C21H41FO5Si — CID 167642359

IUPAC[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane
SMILESCCC1O[C@H](F)C(O[Si](C)(C)OCC2O[C@H](OC)C(C)[C@@H](C)[C@@H]2C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C21H41FO5Si/c1-10-17-14(4)15(5)19(20(22)25-17)27-28(8,9)24-11-18-13(3)12(2)16(6)21(23-7)26-18/h12-21H,10-11H2,1-9H3/t12-,13-,14-,15-,16?,17?,18?,19?,20-,21-/m0/s1
InChIKeyPIQFBBWQMJXBRS-RAKGBPOQSA-N
MW420.64 g/mol
LogP4.75
Rot. Bonds7

About [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane

[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane (PubChem CID 167642359) has the molecular formula C21H41FO5Si and a molecular weight of 420.64 g/mol. Its IUPAC name is [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Name[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane
PubChem CID167642359
Molecular FormulaC21H41FO5Si
Molecular Weight420.64 g/mol
Exact Mass420.27
IUPAC Name[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane
SMILESCCC1O[C@H](F)C(O[Si](C)(C)OCC2O[C@H](OC)C(C)[C@@H](C)[C@@H]2C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C21H41FO5Si/c1-10-17-14(4)15(5)19(20(22)25-17)27-28(8,9)24-11-18-13(3)12(2)16(6)21(23-7)26-18/h12-21H,10-11H2,1-9H3/t12-,13-,14-,15-,16?,17?,18?,19?,20-,21-/m0/s1
InChIKeyPIQFBBWQMJXBRS-RAKGBPOQSA-N
XLogP4.75
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.64
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6R)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 11341648
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 11421312
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 60090931
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 91865616
(3S,4S,6R)-2-ethyl-5-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288483
(2S,3S,6R)-2-ethyl-5-[(2R,5S,6S)-6-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288486
(3S,6R)-2-ethyl-5-[(2R,5S,6S)-6-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288490
(3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 157064255
tert-butyl-[(2R,3R,4R,6S)-6-[(2S,3S,4S)-6-fluoro-2,4-dimethyl-4-triethylsilyloxyoxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 102018670
[(2S,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane
CID 167551465
2-Ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane
CID 20708700
3-Methoxy-2,4,5-trimethyl-6-(2,4,5,6-tetramethyloxan-3-yl)oxyoxane
CID 20745636

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane (CID 167642359) is [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane is CCC1O[C@H](F)C(O[Si](C)(C)OCC2O[C@H](OC)C(C)[C@@H](C)[C@@H]2C)[C@@H](C)[C@@H]1C.
What is the InChIKey of [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is PIQFBBWQMJXBRS-RAKGBPOQSA-N. The full InChI is InChI=1S/C21H41FO5Si/c1-10-17-14(4)15(5)19(20(22)25-17)27-28(8,9)24-11-18-13(3)12(2)16(6)21(23-7)26-18/h12-21H,10-11H2,1-9H3/t12-,13-,14-,15-,16?,17?,18?,19?,20-,21-/m0/s1.
What are the key properties of [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane?
[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 420.64 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-[[(3S,4S,6S)-6-methoxy-3,4,5-trimethyloxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 167642359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).