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

C14H29FO4Si — CID 70279467

IUPACtert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
SMILESCO[C@H]1O[C@H](C)[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1F
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/t9-,10-,11+,12-,13+/m1/s1
InChIKeyXVVDPCWJKSLNQR-LBELIVKGSA-N
MW308.47 g/mol
LogP3.12
Rot. Bonds4

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

tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane (PubChem CID 70279467) has the molecular formula C14H29FO4Si and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
PubChem CID70279467
Molecular FormulaC14H29FO4Si
Molecular Weight308.47 g/mol
Exact Mass308.18
IUPAC Nametert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
SMILESCO[C@H]1O[C@H](C)[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1F
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/t9-,10-,11+,12-,13+/m1/s1
InChIKeyXVVDPCWJKSLNQR-LBELIVKGSA-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane (CID 70279467) is tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane is CO[C@H]1O[C@H](C)[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1F.
What is the InChIKey of tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is XVVDPCWJKSLNQR-LBELIVKGSA-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/t9-,10-,11+,12-,13+/m1/s1.
What are the key properties of tert-butyl-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,4S,5S,6R)-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-[(2S,3R,4S,5S,6R)-3-fluoro-2,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 70279467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).