[6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate

C14H26O8 — CID 568173

IUPAC[6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate
SMILESCOCC(OC)C1OC(OC)C(OC(C)=O)C(OC)C1OC
InChIInChI=1S/C14H26O8/c1-8(15)21-13-12(19-5)11(18-4)10(22-14(13)20-6)9(17-3)7-16-2/h9-14H,7H2,1-6H3
InChIKeyLRTPRBAUOHMUDT-UHFFFAOYSA-N
MW322.35 g/mol
LogP-0.02
Rot. Bonds8

About [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate

[6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate (PubChem CID 568173) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate
PubChem CID568173
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Name[6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate
SMILESCOCC(OC)C1OC(OC)C(OC(C)=O)C(OC)C1OC
InChIInChI=1S/C14H26O8/c1-8(15)21-13-12(19-5)11(18-4)10(22-14(13)20-6)9(17-3)7-16-2/h9-14H,7H2,1-6H3
InChIKeyLRTPRBAUOHMUDT-UHFFFAOYSA-N
XLogP-0.02
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
[2-(5-acetyloxy-3,4,6-trimethoxyoxan-2-yl)-2-methoxyethyl] acetate
CID 554589
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
[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
[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 14447784
[(3S,5R,6R)-3,5-diacetyloxy-2,6-dimethoxyoxan-4-yl] acetate
CID 134937092
[(2S,3R,4R,5R)-5-acetyloxy-6-[(2S,3S,4S,5S,6R)-5-acetyloxy-6-[(1R)-1-acetyloxy-2-methoxyethyl]-3,4-dimethoxyoxan-2-yl]oxy-2,3,4-trimethoxyhexyl] acetate
CID 22215496
[4-acetyloxy-2-(1-acetyloxyethyl)-5-methoxyoxolan-3-yl] acetate
CID 575602
[(2R,3R,4S,5S,6S)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]methyl acetate
CID 22214452

Frequently Asked Questions

What is the IUPAC name of [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate?
The IUPAC name of [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate (CID 568173) is [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate.
What is the SMILES notation for [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate?
The canonical SMILES for [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate is COCC(OC)C1OC(OC)C(OC(C)=O)C(OC)C1OC.
What is the InChIKey of [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate?
The InChIKey is LRTPRBAUOHMUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O8/c1-8(15)21-13-12(19-5)11(18-4)10(22-14(13)20-6)9(17-3)7-16-2/h9-14H,7H2,1-6H3.
What are the key properties of [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate?
[6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate has a molecular weight of 322.35 g/mol, XLogP of -0.02, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2-dimethoxyethyl)-2,4,5-trimethoxyoxan-3-yl] acetate is sourced from PubChem (CID 568173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).