trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate

C23H52O7Si4 — CID 91752376

IUPACtrimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESCC(C)CCOC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C23H52O7Si4/c1-17(2)15-16-25-23-21(29-33(9,10)11)19(28-32(6,7)8)18(27-31(3,4)5)20(26-23)22(24)30-34(12,13)14/h17-21,23H,15-16H2,1-14H3
InChIKeyAVXTWRBCNSBVSC-UHFFFAOYSA-N
MW553.01 g/mol
LogP5.81
Rot. Bonds12

About trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate

trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (PubChem CID 91752376) has the molecular formula C23H52O7Si4 and a molecular weight of 553.01 g/mol. Its IUPAC name is trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
PubChem CID91752376
Molecular FormulaC23H52O7Si4
Molecular Weight553.01 g/mol
Exact Mass552.28
IUPAC Nametrimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESCC(C)CCOC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C23H52O7Si4/c1-17(2)15-16-25-23-21(29-33(9,10)11)19(28-32(6,7)8)18(27-31(3,4)5)20(26-23)22(24)30-34(12,13)14/h17-21,23H,15-16H2,1-14H3
InChIKeyAVXTWRBCNSBVSC-UHFFFAOYSA-N
XLogP5.81
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.01
LogP ≤ 55.81
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 (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)-3,4,5,6-tetrakis(2,2-dimethylpropanoyloxy)oxane-2-carboxylate
CID 11341774
D-(+)-Galacturonic acid, 5TMS derivative
CID 553415
Methyl glucuronide, TMS
CID 609395
D(+)-Turanose, TMS
CID 22296522
methyl (4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxane-4-carboxylate
CID 10991203
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(3-methylbutoxy)oxane-2-carboxylate
CID 102451497
[(2S,3R,6R)-6-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(tributylsilyloxymethyl)oxan-3-yl]methyl 2,2-dimethylpropanoate
CID 134884325
methyl 2,3,4-tri-O-(t-butyldimethylsilyl)-d-glucopyranuronate
CID 166001717
Glucuronic acid TMS
CID 22214290

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The IUPAC name of trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (CID 91752376) is trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.
What is the SMILES notation for trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The canonical SMILES for trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is CC(C)CCOC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The InChIKey is AVXTWRBCNSBVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52O7Si4/c1-17(2)15-16-25-23-21(29-33(9,10)11)19(28-32(6,7)8)18(27-31(3,4)5)20(26-23)22(24)30-34(12,13)14/h17-21,23H,15-16H2,1-14H3.
What are the key properties of trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate has a molecular weight of 553.01 g/mol, XLogP of 5.81, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-(3-methylbutoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is sourced from PubChem (CID 91752376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).