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

C17H34O8Si2 — CID 609191

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

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

[3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate (PubChem CID 609191) has the molecular formula C17H34O8Si2 and a molecular weight of 422.62 g/mol. Its IUPAC name is [3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate
PubChem CID609191
Molecular FormulaC17H34O8Si2
Molecular Weight422.62 g/mol
Exact Mass422.18
IUPAC Name[3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate
SMILESCOC1OC(COC(C)=O)C(OC(C)=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C17H34O8Si2/c1-11(18)21-10-13-14(22-12(2)19)15(24-26(4,5)6)16(17(20-3)23-13)25-27(7,8)9/h13-17H,10H2,1-9H3
InChIKeyBLBJUGXYTLDVGF-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

[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate
CID 102046288
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975
[(3R,4S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 70864054
[(3R,4S,5R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050229
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 2795017
[(3R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050578
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 10416815
[(2R,3R,4S,5S,6S)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]methyl acetate
CID 22214452
[(2R,3R,4S,5R,6R)-3,5-diacetyloxy-6-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 10055035
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate?
The IUPAC name of [3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate (CID 609191) is [3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate is COC1OC(COC(C)=O)C(OC(C)=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate?
The InChIKey is BLBJUGXYTLDVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O8Si2/c1-11(18)21-10-13-14(22-12(2)19)15(24-26(4,5)6)16(17(20-3)23-13)25-27(7,8)9/h13-17H,10H2,1-9H3.
What are the key properties of [3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate?
[3-acetyloxy-6-methoxy-4,5-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 [3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 609191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).