(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol

C12H25FO3Si — CID 70882714

IUPAC(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC1OCC[C@@H](F)[C@@H]1O
InChIInChI=1S/C12H25FO3Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h9-11,14H,6-8H2,1-5H3/t9-,10?,11+/m1/s1
InChIKeyVEANMGSNSJSPBI-FBKFWFMHSA-N
MW264.41 g/mol
LogP2.50
Rot. Bonds3

About (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol

(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol (PubChem CID 70882714) has the molecular formula C12H25FO3Si and a molecular weight of 264.41 g/mol. Its IUPAC name is (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol.

Molecular Properties

Compound Name(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
PubChem CID70882714
Molecular FormulaC12H25FO3Si
Molecular Weight264.41 g/mol
Exact Mass264.16
IUPAC Name(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC1OCC[C@@H](F)[C@@H]1O
InChIInChI=1S/C12H25FO3Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h9-11,14H,6-8H2,1-5H3/t9-,10?,11+/m1/s1
InChIKeyVEANMGSNSJSPBI-FBKFWFMHSA-N
XLogP2.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol
CID 10706494
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 10890219
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 11322576
3-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]propan-1-ol
CID 44438951
tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
CID 11695247
(3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70882713
(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
(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol
CID 174043884
(3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol
CID 174043886
(3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol
CID 174043910
(2R,3S)-2-{[(tert-butyldimethylsilyl)oxy]methyl}oxan-3-ol
CID 15785525

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol?
The IUPAC name of (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol (CID 70882714) is (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol.
What is the SMILES notation for (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol?
The canonical SMILES for (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol is CC(C)(C)[Si](C)(C)OCC1OCC[C@@H](F)[C@@H]1O.
What is the InChIKey of (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol?
The InChIKey is VEANMGSNSJSPBI-FBKFWFMHSA-N. The full InChI is InChI=1S/C12H25FO3Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h9-11,14H,6-8H2,1-5H3/t9-,10?,11+/m1/s1.
What are the key properties of (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol?
(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol is sourced from PubChem (CID 70882714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).