[2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate

C15H26O9 — CID 554589

IUPAC[2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate
SMILESCOC(COC(C)=O)C1OC(OC)C(OC(C)=O)C(OC)C1OC
InChIInChI=1S/C15H26O9/c1-8(16)22-7-10(18-3)11-12(19-4)13(20-5)14(23-9(2)17)15(21-6)24-11/h10-15H,7H2,1-6H3
InChIKeyAVGXEUOHCRVCAK-UHFFFAOYSA-N
MW350.36 g/mol
LogP-0.10
Rot. Bonds8

About [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate

[2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate (PubChem CID 554589) has the molecular formula C15H26O9 and a molecular weight of 350.36 g/mol. Its IUPAC name is [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate.

Molecular Properties

Compound Name[2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate
PubChem CID554589
Molecular FormulaC15H26O9
Molecular Weight350.36 g/mol
Exact Mass350.16
IUPAC Name[2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate
SMILESCOC(COC(C)=O)C1OC(OC)C(OC(C)=O)C(OC)C1OC
InChIInChI=1S/C15H26O9/c1-8(16)22-7-10(18-3)11-12(19-4)13(20-5)14(23-9(2)17)15(21-6)24-11/h10-15H,7H2,1-6H3
InChIKeyAVGXEUOHCRVCAK-UHFFFAOYSA-N
XLogP-0.10
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[(2R)-2-[(2R,3S,4S,5R)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]-2-methoxyethyl] acetate
CID 22214456
[6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate
CID 568173
[5-(2-acetyloxy-2-deuterio-1-methoxyethyl)-2,4-dimethoxyoxolan-3-yl] acetate
CID 131872431
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethyl] acetate
CID 22212978
[(2S)-2-acetyloxy-2-[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]ethyl] acetate
CID 14216846
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate
CID 11954776
2-(1,2-dimethoxyethyl)-3,4,5,6-tetramethoxyoxane
CID 560407
(2S,3S,4R,5R)-2-[(1R)-1,2-dimethoxyethyl]-3,4,5-trimethoxyoxolane
CID 22215467
[(2R,3R,4S,5S,6S)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]methyl acetate
CID 22214452
[2-acetyloxy-2-(3,4-diacetyloxy-5-propoxyoxolan-2-yl)ethyl] acetate
CID 538653
[(3S,5R,6R)-3,5-diacetyloxy-2,6-dimethoxyoxan-4-yl] acetate
CID 134937092
[(2S)-2-[(2S,3S,4R,5R)-5-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-3,4-diacetyloxyoxolan-2-yl]-2-acetyloxyethyl] acetate
CID 10530659

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate?
The IUPAC name of [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate (CID 554589) is [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate.
What is the SMILES notation for [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate?
The canonical SMILES for [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate is COC(COC(C)=O)C1OC(OC)C(OC(C)=O)C(OC)C1OC.
What is the InChIKey of [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate?
The InChIKey is AVGXEUOHCRVCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O9/c1-8(16)22-7-10(18-3)11-12(19-4)13(20-5)14(23-9(2)17)15(21-6)24-11/h10-15H,7H2,1-6H3.
What are the key properties of [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate?
[2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate has a molecular weight of 350.36 g/mol, XLogP of -0.10, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate is sourced from PubChem (CID 554589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).