methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate

C17H38O7Si3 — CID 612379

IUPACmethyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate
SMILESCOC(=O)C(O[Si](C)(C)C)C1OC(OC)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C17H38O7Si3/c1-19-16(18)14(23-26(6,7)8)12-13(22-25(3,4)5)15(17(20-2)21-12)24-27(9,10)11/h12-15,17H,1-11H3
InChIKeyPUYBWLWFNZAWFM-UHFFFAOYSA-N
MW438.74 g/mol
LogP3.19
Rot. Bonds9

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

methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate (PubChem CID 612379) has the molecular formula C17H38O7Si3 and a molecular weight of 438.74 g/mol. Its IUPAC name is methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate
PubChem CID612379
Molecular FormulaC17H38O7Si3
Molecular Weight438.74 g/mol
Exact Mass438.19
IUPAC Namemethyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate
SMILESCOC(=O)C(O[Si](C)(C)C)C1OC(OC)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C17H38O7Si3/c1-19-16(18)14(23-26(6,7)8)12-13(22-25(3,4)5)15(17(20-2)21-12)24-27(9,10)11/h12-15,17H,1-11H3
InChIKeyPUYBWLWFNZAWFM-UHFFFAOYSA-N
XLogP3.19
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.74
LogP ≤ 53.19
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
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
D-(+)-Galacturonic acid, 5TMS derivative
CID 553415
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
D-Glucurono-gamma-lactone (isomer 1), 3TMS derivative
CID 553537
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539
Methyl glucuronide, TMS
CID 609395
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate?
The IUPAC name of methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate (CID 612379) is methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate.
What is the SMILES notation for methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate?
The canonical SMILES for methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate is COC(=O)C(O[Si](C)(C)C)C1OC(OC)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate?
The InChIKey is PUYBWLWFNZAWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O7Si3/c1-19-16(18)14(23-26(6,7)8)12-13(22-25(3,4)5)15(17(20-2)21-12)24-27(9,10)11/h12-15,17H,1-11H3.
What are the key properties of methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate?
methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate has a molecular weight of 438.74 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methoxy-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyacetate is sourced from PubChem (CID 612379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).