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

C17H34O8Si2 — CID 552957

IUPAC[4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate
SMILESCOC1OC(COC(C)=O)C(O[Si](C)(C)C)C(OC(C)=O)C1O[Si](C)(C)C
InChIInChI=1S/C17H34O8Si2/c1-11(18)21-10-13-14(24-26(4,5)6)15(22-12(2)19)16(17(20-3)23-13)25-27(7,8)9/h13-17H,10H2,1-9H3
InChIKeyITGKZNAFHOGTIJ-UHFFFAOYSA-N
MW422.62 g/mol
LogP2.29
Rot. Bonds8

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

[4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate (PubChem CID 552957) has the molecular formula C17H34O8Si2 and a molecular weight of 422.62 g/mol. Its IUPAC name is [4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate
PubChem CID552957
Molecular FormulaC17H34O8Si2
Molecular Weight422.62 g/mol
Exact Mass422.18
IUPAC Name[4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate
SMILESCOC1OC(COC(C)=O)C(O[Si](C)(C)C)C(OC(C)=O)C1O[Si](C)(C)C
InChIInChI=1S/C17H34O8Si2/c1-11(18)21-10-13-14(24-26(4,5)6)15(22-12(2)19)16(17(20-3)23-13)25-27(7,8)9/h13-17H,10H2,1-9H3
InChIKeyITGKZNAFHOGTIJ-UHFFFAOYSA-N
XLogP2.29
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

beta-D-Glucose pentaacetate
CID 2724702
alpha-D-glucose pentaacetate
CID 2723636
alpha-D-Glucopyranoside, methyl, tetraacetate
CID 95144
beta-D-Galactose pentaacetate
CID 94752
alpha-D-Mannose pentaacetate
CID 11741089
[(2R,3R,4S,5S)-3,4,5,6-tetra(butanoyloxy)oxan-2-yl]methyl butanoate
CID 44588002
beta-D-Galactopyranose pentaacetate
CID 79064
(4,5,6-Triacetyloxy-2-methyloxan-3-yl) acetate
CID 273721
Methyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside
CID 2728821
alpha-D-Galactopyranose, pentabutanoate
CID 3079328
((2R,3S,4S,5R)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl)methyl acetate
CID 2729838
L-Mannopyranose, 6-deoxy-, tetraacetate
CID 10947545

Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate?
The IUPAC name of [4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate (CID 552957) is [4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate is COC1OC(COC(C)=O)C(O[Si](C)(C)C)C(OC(C)=O)C1O[Si](C)(C)C.
What is the InChIKey of [4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate?
The InChIKey is ITGKZNAFHOGTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O8Si2/c1-11(18)21-10-13-14(24-26(4,5)6)15(22-12(2)19)16(17(20-3)23-13)25-27(7,8)9/h13-17H,10H2,1-9H3.
What are the key properties of [4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate?
[4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate has a molecular weight of 422.62 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-6-methoxy-3,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 552957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).