[2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate

C18H40O7Si3 — CID 552961

IUPAC[2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate
SMILESCOC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(C)=O)C1O[Si](C)(C)C
InChIInChI=1S/C18H40O7Si3/c1-13(19)22-16-15(24-27(6,7)8)14(12-21-26(3,4)5)23-18(20-2)17(16)25-28(9,10)11/h14-18H,12H2,1-11H3
InChIKeyMGLGNBRTJHDFKE-UHFFFAOYSA-N
MW452.77 g/mol
LogP3.58
Rot. Bonds9

About [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate

[2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate (PubChem CID 552961) has the molecular formula C18H40O7Si3 and a molecular weight of 452.77 g/mol. Its IUPAC name is [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate
PubChem CID552961
Molecular FormulaC18H40O7Si3
Molecular Weight452.77 g/mol
Exact Mass452.21
IUPAC Name[2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate
SMILESCOC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(C)=O)C1O[Si](C)(C)C
InChIInChI=1S/C18H40O7Si3/c1-13(19)22-16-15(24-27(6,7)8)14(12-21-26(3,4)5)23-18(20-2)17(16)25-28(9,10)11/h14-18H,12H2,1-11H3
InChIKeyMGLGNBRTJHDFKE-UHFFFAOYSA-N
XLogP3.58
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.77
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate?
The IUPAC name of [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate (CID 552961) is [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate.
What is the SMILES notation for [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate?
The canonical SMILES for [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate is COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC(C)=O)C1O[Si](C)(C)C.
What is the InChIKey of [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate?
The InChIKey is MGLGNBRTJHDFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O7Si3/c1-13(19)22-16-15(24-27(6,7)8)14(12-21-26(3,4)5)23-18(20-2)17(16)25-28(9,10)11/h14-18H,12H2,1-11H3.
What are the key properties of [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate?
[2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate has a molecular weight of 452.77 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate is sourced from PubChem (CID 552961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).