(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one

C19H29FO4Si — CID 134950416

IUPAC(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COCc2ccccc2)OC(=O)[C@]1(C)F
InChIInChI=1S/C19H29FO4Si/c1-18(2,3)25(5,6)24-16-15(23-17(21)19(16,4)20)13-22-12-14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3/t15-,16-,19-/m1/s1
InChIKeySBNPODUBXKOSDN-GPMSIDNRSA-N
MW368.52 g/mol
LogP4.25
Rot. Bonds6

About (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one

(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 134950416) has the molecular formula C19H29FO4Si and a molecular weight of 368.52 g/mol. Its IUPAC name is (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID134950416
Molecular FormulaC19H29FO4Si
Molecular Weight368.52 g/mol
Exact Mass368.18
IUPAC Name(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COCc2ccccc2)OC(=O)[C@]1(C)F
InChIInChI=1S/C19H29FO4Si/c1-18(2,3)25(5,6)24-16-15(23-17(21)19(16,4)20)13-22-12-14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3/t15-,16-,19-/m1/s1
InChIKeySBNPODUBXKOSDN-GPMSIDNRSA-N
XLogP4.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.25
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

(2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid gamma-lactone 3,5-dibenzoate
CID 42625091
benzyl 2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetate
CID 12192987
(4R,5R)-5-heptyl-4-phenylmethoxyoxolan-2-one
CID 44426426
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
(4S,5S)-4-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 13297258
(3R,4R,5S)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10955667
(3R,4S,5R)-3-fluoro-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 11031987
(3R,4R,5R)-5-(benzyloxymethyl)-3-fluoro-4-hydroxy-3-methyl-tetrahydrofuran-2-one
CID 102357575
Dimethyl 2-(3-fluoro-4-phenyl-4-triethylsilyloxybut-2-enyl)propanedioate
CID 134854442
[(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 134950417
(3S,5S)-5-((tert-butyldimethylsilyl)oxy)-3-(((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)hexanoate
CID 164888857
(3R,5S)-5-((tert-butyldimethylsilyl)oxy)-3-(((S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)hexanoate
CID 164888889

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one (CID 134950416) is (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COCc2ccccc2)OC(=O)[C@]1(C)F.
What is the InChIKey of (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is SBNPODUBXKOSDN-GPMSIDNRSA-N. The full InChI is InChI=1S/C19H29FO4Si/c1-18(2,3)25(5,6)24-16-15(23-17(21)19(16,4)20)13-22-12-14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3/t15-,16-,19-/m1/s1.
What are the key properties of (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 368.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 134950416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).