N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide

C23H30F3NO4Si — CID 123983134

IUPACN-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(O)C(O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C23H30F3NO4Si/c1-16(28)20(29)19(27-21(30)23(24,25)26)15-31-32(22(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,28-29H,15H2,1-4H3,(H,27,30)
InChIKeyNWXHCCQNAVYARY-UHFFFAOYSA-N
MW469.58 g/mol
LogP2.35
Rot. Bonds8

About N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide

N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 123983134) has the molecular formula C23H30F3NO4Si and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID123983134
Molecular FormulaC23H30F3NO4Si
Molecular Weight469.58 g/mol
Exact Mass469.19
IUPAC NameN-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(O)C(O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C23H30F3NO4Si/c1-16(28)20(29)19(27-21(30)23(24,25)26)15-31-32(22(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,28-29H,15H2,1-4H3,(H,27,30)
InChIKeyNWXHCCQNAVYARY-UHFFFAOYSA-N
XLogP2.35
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2,2-dioxo-5-tetradecyl-1,3,2-dioxathiolan-4-yl]ethyl]-2,2,2-trifluoroacetamide
CID 53465805
N-[(E,2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctadec-4-en-2-yl]-2,2,2-trifluoroacetamide
CID 53465867
N-[(2S,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-iodooctadecan-2-yl]-2,2,2-trifluoroacetamide
CID 134834978
N-[(2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-iodooctadecan-2-yl]-2,2,2-trifluoroacetamide
CID 134835094
1-O-tert-Butyldiphenylsilyl-2-N-trifluoroacetyl-phytosphingosine
CID 53465804
N-[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]-3,4-dihydroxyoctadecan-2-yl]-2,2,2-trifluoroacetamide
CID 142693411
N-[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide
CID 148709292
1-[Tert-butyl(diphenyl)silyl]oxy-4-(2,2-difluoroethylamino)butan-2-ol
CID 169181345
N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide
CID 170982771
N-[(3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxyoctadecan-2-yl]-2,2,2-trifluoroacetamide
CID 173696103
N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxyoctadecan-2-yl]-2,2,2-trifluoroacetamide
CID 173712296
N-[(3S)-1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxyoctadecan-2-yl]-2,2,2-trifluoroacetamide
CID 173723342

Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide (CID 123983134) is N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide is CC(O)C(O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F.
What is the InChIKey of N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is NWXHCCQNAVYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3NO4Si/c1-16(28)20(29)19(27-21(30)23(24,25)26)15-31-32(22(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,28-29H,15H2,1-4H3,(H,27,30).
What are the key properties of N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 469.58 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 123983134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).