(3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one

C18H44O5Si4 — CID 91750470

IUPAC(3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one
SMILESC[Si](C)(C)OCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CO[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-24(2,3)20-14-13-17(22-26(7,8)9)18(23-27(10,11)12)16(19)15-21-25(4,5)6/h17-18H,13-15H2,1-12H3/t17-,18+/m0/s1
InChIKeyOKRSFESAXAOCRN-ZWKOTPCHSA-N
MW452.89 g/mol
LogP5.09
Rot. Bonds13

About (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one

(3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one (PubChem CID 91750470) has the molecular formula C18H44O5Si4 and a molecular weight of 452.89 g/mol. Its IUPAC name is (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one.

Molecular Properties

Compound Name(3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one
PubChem CID91750470
Molecular FormulaC18H44O5Si4
Molecular Weight452.89 g/mol
Exact Mass452.23
IUPAC Name(3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one
SMILESC[Si](C)(C)OCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CO[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-24(2,3)20-14-13-17(22-26(7,8)9)18(23-27(10,11)12)16(19)15-21-25(4,5)6/h17-18H,13-15H2,1-12H3/t17-,18+/m0/s1
InChIKeyOKRSFESAXAOCRN-ZWKOTPCHSA-N
XLogP5.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
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': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
l-Fucose, tetra-TMS-ether
CID 529420
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
D-Fructose, pentakis-TMS ether
CID 527499
D(+)-Fucose, aldol, TMS
CID 14057174
D-Allose, ketol, TMS
CID 14367662
L-Sorbose, TMS
CID 22212029
D-Xylulose, ketol, TMS
CID 22212084
D(+)-Fucose, ketol, TMS
CID 91750471

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one?
The IUPAC name of (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one (CID 91750470) is (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one.
What is the SMILES notation for (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one?
The canonical SMILES for (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one is C[Si](C)(C)OCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)CO[Si](C)(C)C.
What is the InChIKey of (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one?
The InChIKey is OKRSFESAXAOCRN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H44O5Si4/c1-24(2,3)20-14-13-17(22-26(7,8)9)18(23-27(10,11)12)16(19)15-21-25(4,5)6/h17-18H,13-15H2,1-12H3/t17-,18+/m0/s1.
What are the key properties of (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one?
(3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one has a molecular weight of 452.89 g/mol, XLogP of 5.09, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-one is sourced from PubChem (CID 91750470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).