trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate

C18H44O5Si4 — CID 523320

IUPACtrimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate
SMILESCC(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-15(20-24(2,3)4)18(23-27(11,12)13)16(21-25(5,6)7)14-17(19)22-26(8,9)10/h15-16,18H,14H2,1-13H3/t15?,16-,18+/m0/s1
InChIKeyUXZPSPDODIHYMZ-BSRYDQRCSA-N
MW452.89 g/mol
LogP5.43
Rot. Bonds11

About trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate

trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate (PubChem CID 523320) has the molecular formula C18H44O5Si4 and a molecular weight of 452.89 g/mol. Its IUPAC name is trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate
PubChem CID523320
Molecular FormulaC18H44O5Si4
Molecular Weight452.89 g/mol
Exact Mass452.23
IUPAC Nametrimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate
SMILESCC(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-15(20-24(2,3)4)18(23-27(11,12)13)16(21-25(5,6)7)14-17(19)22-26(8,9)10/h15-16,18H,14H2,1-13H3/t15?,16-,18+/m0/s1
InChIKeyUXZPSPDODIHYMZ-BSRYDQRCSA-N
XLogP5.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.89
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Saccharic acid, TMS # 1
CID 523400
Hexanedioic acid, 3-trimethylsiloxy-, bis(trimethylsilyl) ester
CID 528649
Hexanedioic acid, 2-trimethylsilyloxy-, bis(trimethylsilyl) ester
CID 533402
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate (CID 523320) is trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate is CC(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate?
The InChIKey is UXZPSPDODIHYMZ-BSRYDQRCSA-N. The full InChI is InChI=1S/C18H44O5Si4/c1-15(20-24(2,3)4)18(23-27(11,12)13)16(21-25(5,6)7)14-17(19)22-26(8,9)10/h15-16,18H,14H2,1-13H3/t15?,16-,18+/m0/s1.
What are the key properties of trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate?
trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate has a molecular weight of 452.89 g/mol, XLogP of 5.43, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (3S,4R)-3,4,5-tris(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 523320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).