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

C18H40O7Si3 — CID 552960

IUPAC[2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate
SMILESCOC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC(C)=O
InChIInChI=1S/C18H40O7Si3/c1-13(19)22-17-16(25-28(9,10)11)15(24-27(6,7)8)14(23-18(17)20-2)12-21-26(3,4)5/h14-18H,12H2,1-11H3
InChIKeyKERPCMOGRABNHZ-UHFFFAOYSA-N
MW452.77 g/mol
LogP3.58
Rot. Bonds9

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

[2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate (PubChem CID 552960) has the molecular formula C18H40O7Si3 and a molecular weight of 452.77 g/mol. Its IUPAC name is [2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate
PubChem CID552960
Molecular FormulaC18H40O7Si3
Molecular Weight452.77 g/mol
Exact Mass452.21
IUPAC Name[2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate
SMILESCOC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC(C)=O
InChIInChI=1S/C18H40O7Si3/c1-13(19)22-17-16(25-28(9,10)11)15(24-27(6,7)8)14(23-18(17)20-2)12-21-26(3,4)5/h14-18H,12H2,1-11H3
InChIKeyKERPCMOGRABNHZ-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-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate?
The IUPAC name of [2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate (CID 552960) is [2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate.
What is the SMILES notation for [2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate?
The canonical SMILES for [2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate is COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC(C)=O.
What is the InChIKey of [2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate?
The InChIKey is KERPCMOGRABNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O7Si3/c1-13(19)22-17-16(25-28(9,10)11)15(24-27(6,7)8)14(23-18(17)20-2)12-21-26(3,4)5/h14-18H,12H2,1-11H3.
What are the key properties of [2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate?
[2-methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-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-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 552960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).