3-(2-methoxyethyl)-1,4-dioxane-2,5-dione

C7H10O5 — CID 123854269

IUPAC3-(2-methoxyethyl)-1,4-dioxane-2,5-dione
SMILESCOCCC1OC(=O)COC1=O
InChIInChI=1S/C7H10O5/c1-10-3-2-5-7(9)11-4-6(8)12-5/h5H,2-4H2,1H3
InChIKeyMLRHWUBCZPJGSB-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.51
Rot. Bonds3

About 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione

3-(2-methoxyethyl)-1,4-dioxane-2,5-dione (PubChem CID 123854269) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,4-dioxane-2,5-dione
PubChem CID123854269
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name3-(2-methoxyethyl)-1,4-dioxane-2,5-dione
SMILESCOCCC1OC(=O)COC1=O
InChIInChI=1S/C7H10O5/c1-10-3-2-5-7(9)11-4-6(8)12-5/h5H,2-4H2,1H3
InChIKeyMLRHWUBCZPJGSB-UHFFFAOYSA-N
XLogP-0.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-oxobutyl)-1,4-dioxane-2,5-dione
CID 58083912
3-(2-methoxyethyl)oxolane-2,5-dione
CID 13255588
3-ethyl-5-(2-methoxyethyl)oxolan-2-one
CID 91406082
2-(2-methoxyethyl)-1-benzofuran-3-one
CID 155166560
benzyl 2-[(2S)-3,6-dioxo-1,4-dioxan-2-yl]acetate
CID 66727129
5-(2-methoxyethyl)-1,3-oxazolidin-2-one
CID 117158748
3-[1,1-bis(methylsulfanyl)ethyl]-1,4-dioxane-2,5-dione
CID 140960690
(7R)-7-methyl-1,4-dioxepane-2,5-dione
CID 102007605
3-butyloxiran-2-one
CID 18762090
5-hydroxy-4-methoxy-6-(methoxymethyl)-3-trimethylsilyloxyoxan-2-one
CID 123843386
5-(2-methoxyethyl)-3-(1-methyl-2-oxo-4-pyridinyl)-5,8-dihydro-1H-pyrano[3,4-f]isoindol-7-one
CID 158252931
(1R,3aS,5S,6aR)-5-hydroxy-1-(3-methoxypropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 10242340

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione?
The IUPAC name of 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione (CID 123854269) is 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione?
The canonical SMILES for 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione is COCCC1OC(=O)COC1=O.
What is the InChIKey of 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione?
The InChIKey is MLRHWUBCZPJGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-10-3-2-5-7(9)11-4-6(8)12-5/h5H,2-4H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione?
3-(2-methoxyethyl)-1,4-dioxane-2,5-dione has a molecular weight of 174.15 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,4-dioxane-2,5-dione is sourced from PubChem (CID 123854269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).