(2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal

C24H51F3O4Si3 — CID 11620881

IUPAC(2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51F3O4Si3/c1-21(2,3)32(10,11)29-18(19(17-28)30-33(12,13)22(4,5)6)16-20(24(25,26)27)31-34(14,15)23(7,8)9/h17-20H,16H2,1-15H3/t18-,19-,20-/m1/s1
InChIKeyRIOATJCJQTXGAX-VAMGGRTRSA-N
MW544.92 g/mol
LogP8.31
Rot. Bonds10

About (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal

(2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal (PubChem CID 11620881) has the molecular formula C24H51F3O4Si3 and a molecular weight of 544.92 g/mol. Its IUPAC name is (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal.

Molecular Properties

Compound Name(2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal
PubChem CID11620881
Molecular FormulaC24H51F3O4Si3
Molecular Weight544.92 g/mol
Exact Mass544.30
IUPAC Name(2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51F3O4Si3/c1-21(2,3)32(10,11)29-18(19(17-28)30-33(12,13)22(4,5)6)16-20(24(25,26)27)31-34(14,15)23(7,8)9/h17-20H,16H2,1-15H3/t18-,19-,20-/m1/s1
InChIKeyRIOATJCJQTXGAX-VAMGGRTRSA-N
XLogP8.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.92
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

l-Fucose, tetra-TMS-ether
CID 529420
D(+)-Fucose, aldol, TMS
CID 14057174
L(-)-Fucose, aldol, TMS
CID 91750480
(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanal
CID 11038303
(2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
CID 22212087
(2R,3R,4S,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
CID 101280608
(2S,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 102304391
(3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-oxohexanal
CID 102304392
(2S,3S,4R,5S)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-2-trimethylsilyloxyhexanal
CID 102304393

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal?
The IUPAC name of (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal (CID 11620881) is (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal.
What is the SMILES notation for (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal?
The canonical SMILES for (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal is CC(C)(C)[Si](C)(C)O[C@H](C=O)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(F)(F)F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal?
The InChIKey is RIOATJCJQTXGAX-VAMGGRTRSA-N. The full InChI is InChI=1S/C24H51F3O4Si3/c1-21(2,3)32(10,11)29-18(19(17-28)30-33(12,13)22(4,5)6)16-20(24(25,26)27)31-34(14,15)23(7,8)9/h17-20H,16H2,1-15H3/t18-,19-,20-/m1/s1.
What are the key properties of (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal?
(2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal has a molecular weight of 544.92 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal is sourced from PubChem (CID 11620881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).