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

C14H29FO4Si — CID 54491169

IUPACtert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane
SMILESCOC1OC(C)C(OC)C(O[Si](C)(C)C(C)(C)C)C1F
InChIInChI=1S/C14H29FO4Si/c1-9-11(16-5)12(10(15)13(17-6)18-9)19-20(7,8)14(2,3)4/h9-13H,1-8H3
InChIKeyXVVDPCWJKSLNQR-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.12
Rot. Bonds4

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

tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane (PubChem CID 54491169) has the molecular formula C14H29FO4Si and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane
PubChem CID54491169
Molecular FormulaC14H29FO4Si
Molecular Weight308.47 g/mol
Exact Mass308.18
IUPAC Nametert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane
SMILESCOC1OC(C)C(OC)C(O[Si](C)(C)C(C)(C)C)C1F
InChIInChI=1S/C14H29FO4Si/c1-9-11(16-5)12(10(15)13(17-6)18-9)19-20(7,8)14(2,3)4/h9-13H,1-8H3
InChIKeyXVVDPCWJKSLNQR-UHFFFAOYSA-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'}

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Related Compounds

((2S,3R,4S,5R,6R)-2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl)oxy-trimethylsilane
CID 11730569
Glyceryl-glycoside TMS ether
CID 91733362
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
(2R,3R,4S,5R,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 10968858
methyl 6-O-[tert-butyl(dimethyl)silyl]-alpha-D-glucopyranoside
CID 14565209
Methyl-6-(tert-butyldimethylsilyloxy)-alpha-D-mannopyranoside
CID 22831855
(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 134949639
Methyl-4-deoxy-4-fluoro-2,3,6-tri-O-methylbetad-galactopyranoside
CID 6421446
Methyl-2-deoxy-2-fluoro-3,4,6-tri-O-methylbetad-galactopyranoside
CID 6421453
Methyl-3-deoxy-3-fluoro-2,4,6-tri-O-methylbetad-galactopyranoside
CID 6421839
Methyl-6-deoxy-6-fluoro-2,3,4-tri-O-methylbetad-galactopyranoside
CID 91699163

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane (CID 54491169) is tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane is COC1OC(C)C(OC)C(O[Si](C)(C)C(C)(C)C)C1F.
What is the InChIKey of tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane?
The InChIKey is XVVDPCWJKSLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FO4Si/c1-9-11(16-5)12(10(15)13(17-6)18-9)19-20(7,8)14(2,3)4/h9-13H,1-8H3.
What are the key properties of tert-butyl-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane?
tert-butyl-(3-fluoro-2,5-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-(3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl)oxy-dimethylsilane is sourced from PubChem (CID 54491169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).