trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate

C18H40O7Si4 — CID 553475

IUPACtrimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C18H40O7Si4/c1-26(2,3)22-14-13(21-17(19)16(14)24-28(7,8)9)15(23-27(4,5)6)18(20)25-29(10,11)12/h13-16H,1-12H3
InChIKeyZEVFIEFYBHUBDV-UHFFFAOYSA-N
MW480.86 g/mol
LogP3.95
Rot. Bonds9

About trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate

trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate (PubChem CID 553475) has the molecular formula C18H40O7Si4 and a molecular weight of 480.86 g/mol. Its IUPAC name is trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate.

Molecular Properties

Compound Nametrimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate
PubChem CID553475
Molecular FormulaC18H40O7Si4
Molecular Weight480.86 g/mol
Exact Mass480.19
IUPAC Nametrimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate
SMILESC[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C18H40O7Si4/c1-26(2,3)22-14-13(21-17(19)16(14)24-28(7,8)9)15(23-27(4,5)6)18(20)25-29(10,11)12/h13-16H,1-12H3
InChIKeyZEVFIEFYBHUBDV-UHFFFAOYSA-N
XLogP3.95
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.86
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
CID 140966522
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
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
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate?
The IUPAC name of trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate (CID 553475) is trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate.
What is the SMILES notation for trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate?
The canonical SMILES for trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate is C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C1OC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate?
The InChIKey is ZEVFIEFYBHUBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O7Si4/c1-26(2,3)22-14-13(21-17(19)16(14)24-28(7,8)9)15(23-27(4,5)6)18(20)25-29(10,11)12/h13-16H,1-12H3.
What are the key properties of trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate?
trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate has a molecular weight of 480.86 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-[5-oxo-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate is sourced from PubChem (CID 553475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).