3,4,5-tris(trimethylsilyloxy)oxan-2-one

C14H32O5Si3 — CID 523413

IUPAC3,4,5-tris(trimethylsilyloxy)oxan-2-one
SMILESC[Si](C)(C)OC1COC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-20(2,3)17-11-10-16-14(15)13(19-22(7,8)9)12(11)18-21(4,5)6/h11-13H,10H2,1-9H3
InChIKeyRWGTVHCZLUFFAU-UHFFFAOYSA-N
MW364.66 g/mol
LogP3.20
Rot. Bonds6

About 3,4,5-tris(trimethylsilyloxy)oxan-2-one

3,4,5-tris(trimethylsilyloxy)oxan-2-one (PubChem CID 523413) has the molecular formula C14H32O5Si3 and a molecular weight of 364.66 g/mol. Its IUPAC name is 3,4,5-tris(trimethylsilyloxy)oxan-2-one.

Molecular Properties

Compound Name3,4,5-tris(trimethylsilyloxy)oxan-2-one
PubChem CID523413
Molecular FormulaC14H32O5Si3
Molecular Weight364.66 g/mol
Exact Mass364.16
IUPAC Name3,4,5-tris(trimethylsilyloxy)oxan-2-one
SMILESC[Si](C)(C)OC1COC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C14H32O5Si3/c1-20(2,3)17-11-10-16-14(15)13(19-22(7,8)9)12(11)18-21(4,5)6/h11-13H,10H2,1-9H3
InChIKeyRWGTVHCZLUFFAU-UHFFFAOYSA-N
XLogP3.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 53.20
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
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Ethyl tartrate, tris(trimethylsilyl)-
CID 553028
Lyxonic acid, 1,4-lactone, TMS
CID 6427169
(+)-Diisopropyl-O,O'-bis(trimethylsilyl)-L-tartrate
CID 11036237
(3R,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 67190955
(5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 134842430
(3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 134849102

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(trimethylsilyloxy)oxan-2-one?
The IUPAC name of 3,4,5-tris(trimethylsilyloxy)oxan-2-one (CID 523413) is 3,4,5-tris(trimethylsilyloxy)oxan-2-one.
What is the SMILES notation for 3,4,5-tris(trimethylsilyloxy)oxan-2-one?
The canonical SMILES for 3,4,5-tris(trimethylsilyloxy)oxan-2-one is C[Si](C)(C)OC1COC(=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 3,4,5-tris(trimethylsilyloxy)oxan-2-one?
The InChIKey is RWGTVHCZLUFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O5Si3/c1-20(2,3)17-11-10-16-14(15)13(19-22(7,8)9)12(11)18-21(4,5)6/h11-13H,10H2,1-9H3.
What are the key properties of 3,4,5-tris(trimethylsilyloxy)oxan-2-one?
3,4,5-tris(trimethylsilyloxy)oxan-2-one has a molecular weight of 364.66 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(trimethylsilyloxy)oxan-2-one is sourced from PubChem (CID 523413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).