methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate

C17H38O7Si3 — CID 609395

IUPACmethyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESCOC(=O)C1OC(OC)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C17H38O7Si3/c1-19-16(18)14-12(22-25(3,4)5)13(23-26(6,7)8)15(17(20-2)21-14)24-27(9,10)11/h12-15,17H,1-11H3
InChIKeyYBPUSDOFUOGIOU-UHFFFAOYSA-N
MW438.74 g/mol
LogP3.19
Rot. Bonds8

About methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate

methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (PubChem CID 609395) has the molecular formula C17H38O7Si3 and a molecular weight of 438.74 g/mol. Its IUPAC name is methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
PubChem CID609395
Molecular FormulaC17H38O7Si3
Molecular Weight438.74 g/mol
Exact Mass438.19
IUPAC Namemethyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESCOC(=O)C1OC(OC)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C17H38O7Si3/c1-19-16(18)14-12(22-25(3,4)5)13(23-26(6,7)8)15(17(20-2)21-14)24-27(9,10)11/h12-15,17H,1-11H3
InChIKeyYBPUSDOFUOGIOU-UHFFFAOYSA-N
XLogP3.19
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
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

Methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate
CID 95087
(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
Methyl D-glucopyranuronate 1,2,3,4-tetraacetate
CID 11047049
alpha-D-Galactopyranosiduronic acid, methyl methyl ester, triacetate
CID 142031
alpha-D-Glucopyranuronic acid, methyl ester, tetraacetate
CID 226478
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
Methyl 2,3,4-tri-O-acetyl-B-D-glucuronic acid methyl ester
CID 11057163
beta-D-Glucopyranuronic acid, ethyl ester, tetraacetate
CID 90475825
methyl (2S,3S,4S,5R,6S)-3,4,5-trimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane-2-carboxylate
CID 162888423
methyl (2S,3S,4S,5R,6S)-4,5-dimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
CID 162892440
methyl (2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5S)-2,4,5,6-tetramethoxyhexan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trimethoxyoxane-2-carboxylate
CID 162913163
Cellobiose octaacetate
CID 104455

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The IUPAC name of methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (CID 609395) is methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is COC(=O)C1OC(OC)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The InChIKey is YBPUSDOFUOGIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O7Si3/c1-19-16(18)14-12(22-25(3,4)5)13(23-26(6,7)8)15(17(20-2)21-14)24-27(9,10)11/h12-15,17H,1-11H3.
What are the key properties of methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate has a molecular weight of 438.74 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is sourced from PubChem (CID 609395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).