tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate

C16H31F3O4Si — CID 134943547

IUPACtert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate
SMILESCC(C)(C)OC(=O)[C@@H]([C@H](O)CCO[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C16H31F3O4Si/c1-14(2,3)23-13(21)12(16(17,18)19)11(20)9-10-22-24(7,8)15(4,5)6/h11-12,20H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyPINXALKRMDGMBE-VXGBXAGGSA-N
MW372.50 g/mol
LogP4.28
Rot. Bonds6

About tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate

tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate (PubChem CID 134943547) has the molecular formula C16H31F3O4Si and a molecular weight of 372.50 g/mol. Its IUPAC name is tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate
PubChem CID134943547
Molecular FormulaC16H31F3O4Si
Molecular Weight372.50 g/mol
Exact Mass372.19
IUPAC Nametert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate
SMILESCC(C)(C)OC(=O)[C@@H]([C@H](O)CCO[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C16H31F3O4Si/c1-14(2,3)23-13(21)12(16(17,18)19)11(20)9-10-22-24(7,8)15(4,5)6/h11-12,20H,9-10H2,1-8H3/t11-,12-/m1/s1
InChIKeyPINXALKRMDGMBE-VXGBXAGGSA-N
XLogP4.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoro-3-hydroxypentanoate
CID 90176307
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
ethyl (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 134856614
tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
CID 135012525
tert-butyl (2S,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate
CID 49831261
Ethyl 2,2-difluoro-3-hydroxy-5-methoxy-4-methylpentanoate
CID 116503136
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 87206557
4-[Tert-butyl(dimethyl)silyl]oxyoxane-3-carboxylic acid
CID 168963273
2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
CID 10662325
methyl (2R,3S,4S)-5-hydroxy-2,4-dimethyl-3-triethylsilyloxypentanoate
CID 11369794
methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 42605089
methyl (2R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 72204434

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate?
The IUPAC name of tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate (CID 134943547) is tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate.
What is the SMILES notation for tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate?
The canonical SMILES for tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate is CC(C)(C)OC(=O)[C@@H]([C@H](O)CCO[Si](C)(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate?
The InChIKey is PINXALKRMDGMBE-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H31F3O4Si/c1-14(2,3)23-13(21)12(16(17,18)19)11(20)9-10-22-24(7,8)15(4,5)6/h11-12,20H,9-10H2,1-8H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate?
tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate has a molecular weight of 372.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate is sourced from PubChem (CID 134943547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).