trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate

C21H50O7Si5 — CID 521649

IUPACtrimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h16-20H,1-15H3
InChIKeyHDGFBGPNRURMOV-UHFFFAOYSA-N
MW555.05 g/mol
LogP5.44
Rot. Bonds14

About trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate

trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate (PubChem CID 521649) has the molecular formula C21H50O7Si5 and a molecular weight of 555.05 g/mol. Its IUPAC name is trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
PubChem CID521649
Molecular FormulaC21H50O7Si5
Molecular Weight555.05 g/mol
Exact Mass554.24
IUPAC Nametrimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h16-20H,1-15H3
InChIKeyHDGFBGPNRURMOV-UHFFFAOYSA-N
XLogP5.44
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.05
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 522260
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
D-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 519639
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Saccharic acid, TMS # 1
CID 523400
l-Fucose, tetra-TMS-ether
CID 529420
Hexanedioic acid, 2-trimethylsilyloxy-, bis(trimethylsilyl) ester
CID 533402
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539
Glucaric acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, bis(trimethylsilyl) ester
CID 553859

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate (CID 521649) is trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate is C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
The InChIKey is HDGFBGPNRURMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50O7Si5/c1-29(2,3)24-17(16-22)18(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)21(23)28-33(13,14)15/h16-20H,1-15H3.
What are the key properties of trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate?
trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate has a molecular weight of 555.05 g/mol, XLogP of 5.44, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-oxo-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 521649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).