(2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal

C18H44O5Si4 — CID 22212087

IUPAC(2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
SMILESC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-15(20-24(2,3)4)17(22-26(8,9)10)18(23-27(11,12)13)16(14-19)21-25(5,6)7/h14-18H,1-13H3/t15-,16-,17-,18-/m1/s1
InChIKeyHZBOSAPUGYAKKA-BRSBDYLESA-N
MW452.89 g/mol
LogP5.09
Rot. Bonds12

About (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal

(2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal (PubChem CID 22212087) has the molecular formula C18H44O5Si4 and a molecular weight of 452.89 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
PubChem CID22212087
Molecular FormulaC18H44O5Si4
Molecular Weight452.89 g/mol
Exact Mass452.23
IUPAC Name(2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
SMILESC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-15(20-24(2,3)4)17(22-26(8,9)10)18(23-27(11,12)13)16(14-19)21-25(5,6)7/h14-18H,1-13H3/t15-,16-,17-,18-/m1/s1
InChIKeyHZBOSAPUGYAKKA-BRSBDYLESA-N
XLogP5.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.89
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 522260
D-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 519639
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
l-Fucose, tetra-TMS-ether
CID 529420
D-2-Deoxyribose, 3TMS derivative
CID 553079
Glucuronic acid, TMS # 1
CID 22211710
1-O,3-O,4-O,5-O,6-O-Pentakis(trimethylsilyl)-D-fructose
CID 14367659
(2S,3S,4R,5R)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 15695113
Bissilyloxy aldehyde
CID 139046915
(2S,3R,5R)-2,3,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6,6,6-trifluorohexanal
CID 11620881
Galactonic acid, hexakis-TMS
CID 523309

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The IUPAC name of (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal (CID 22212087) is (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The canonical SMILES for (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal is C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C.
What is the InChIKey of (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The InChIKey is HZBOSAPUGYAKKA-BRSBDYLESA-N. The full InChI is InChI=1S/C18H44O5Si4/c1-15(20-24(2,3)4)17(22-26(8,9)10)18(23-27(11,12)13)16(14-19)21-25(5,6)7/h14-18H,1-13H3/t15-,16-,17-,18-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
(2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal has a molecular weight of 452.89 g/mol, XLogP of 5.09, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 22212087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).