1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione

C18H42O6Si4 — CID 609198

IUPAC1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione
SMILESC[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)21-13-15(19)17(23-27(7,8)9)18(24-28(10,11)12)16(20)14-22-26(4,5)6/h17-18H,13-14H2,1-12H3
InChIKeyQQAPFRRDUDTDDM-UHFFFAOYSA-N
MW466.87 g/mol
LogP4.27
Rot. Bonds13

About 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione

1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione (PubChem CID 609198) has the molecular formula C18H42O6Si4 and a molecular weight of 466.87 g/mol. Its IUPAC name is 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione.

Molecular Properties

Compound Name1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione
PubChem CID609198
Molecular FormulaC18H42O6Si4
Molecular Weight466.87 g/mol
Exact Mass466.21
IUPAC Name1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione
SMILESC[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C
InChIInChI=1S/C18H42O6Si4/c1-25(2,3)21-13-15(19)17(23-27(7,8)9)18(24-28(10,11)12)16(20)14-22-26(4,5)6/h17-18H,13-14H2,1-12H3
InChIKeyQQAPFRRDUDTDDM-UHFFFAOYSA-N
XLogP4.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

D-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 519639
2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
1-O,3-O,4-O,5-O,6-O-Pentakis(trimethylsilyl)-D-fructose
CID 14367659
D-Fructose, pentakis-TMS ether
CID 527499
D-Allose, ketol, TMS
CID 14367662
L-Sorbose, TMS
CID 22212029
D-Xylulose, ketol, TMS
CID 22212084
2-Deoxy-D-galactose, ketol, TMS
CID 91750470
D(+)-Fucose, ketol, TMS
CID 91750471
L(-)-Fucose, ketol, TMS
CID 91750481
D(+)-Talose, ketol, TMS
CID 91750505
Tagatose, TMS
CID 91750506

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione?
The IUPAC name of 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione (CID 609198) is 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione.
What is the SMILES notation for 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione?
The canonical SMILES for 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione is C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C.
What is the InChIKey of 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione?
The InChIKey is QQAPFRRDUDTDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O6Si4/c1-25(2,3)21-13-15(19)17(23-27(7,8)9)18(24-28(10,11)12)16(20)14-22-26(4,5)6/h17-18H,13-14H2,1-12H3.
What are the key properties of 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione?
1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione has a molecular weight of 466.87 g/mol, XLogP of 4.27, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione is sourced from PubChem (CID 609198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).