1-(1,4-dioxan-2-yl)-2-ethoxyethanone

C8H14O4 — CID 115278581

IUPAC1-(1,4-dioxan-2-yl)-2-ethoxyethanone
SMILESCCOCC(=O)C1COCCO1
InChIInChI=1S/C8H14O4/c1-2-10-5-7(9)8-6-11-3-4-12-8/h8H,2-6H2,1H3
InChIKeyOBEJVVGCNOPOGT-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.01
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-2-ethoxyethanone

1-(1,4-dioxan-2-yl)-2-ethoxyethanone (PubChem CID 115278581) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-ethoxyethanone
PubChem CID115278581
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name1-(1,4-dioxan-2-yl)-2-ethoxyethanone
SMILESCCOCC(=O)C1COCCO1
InChIInChI=1S/C8H14O4/c1-2-10-5-7(9)8-6-11-3-4-12-8/h8H,2-6H2,1H3
InChIKeyOBEJVVGCNOPOGT-UHFFFAOYSA-N
XLogP0.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)tridecan-1-one
CID 65350783
1-(1,4-dioxan-2-yl)-3-methylsulfonylpropan-1-one
CID 65350575
butyl 1,4-dioxane-2-carboxylate
CID 112727937
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone
CID 65351380
1-(1,4-dioxan-2-yl)-3-ethylheptan-1-one
CID 65351055
2-(ethoxymethyl)-1,4-dioxane
CID 20725722
2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561302
1-(1,4-dioxan-2-yl)-2-methylpentan-1-one
CID 107891217
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
formic acid;methyl 1,4-dioxane-2-carboxylate
CID 143754061
2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62805451
methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952638

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-ethoxyethanone?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-ethoxyethanone (CID 115278581) is 1-(1,4-dioxan-2-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-ethoxyethanone is CCOCC(=O)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-ethoxyethanone?
The InChIKey is OBEJVVGCNOPOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-10-5-7(9)8-6-11-3-4-12-8/h8H,2-6H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-ethoxyethanone?
1-(1,4-dioxan-2-yl)-2-ethoxyethanone has a molecular weight of 174.20 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-ethoxyethanone is sourced from PubChem (CID 115278581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).