1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone

C11H18O4 — CID 65351380

IUPAC1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1COCCO1
InChIInChI=1S/C11H18O4/c12-10(11-8-14-5-6-15-11)7-9-1-3-13-4-2-9/h9,11H,1-8H2
InChIKeyKHOMUZXXOVURLJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.79
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone

1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone (PubChem CID 65351380) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone
PubChem CID65351380
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1COCCO1
InChIInChI=1S/C11H18O4/c12-10(11-8-14-5-6-15-11)7-9-1-3-13-4-2-9/h9,11H,1-8H2
InChIKeyKHOMUZXXOVURLJ-UHFFFAOYSA-N
XLogP0.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
1-(3-oxabicyclo[3.1.0]hexan-6-yl)-2-(oxan-4-yl)ethanone
CID 130764012
2-cyclopentyl-1-(oxan-2-yl)ethanone
CID 114969343
1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone
CID 157249668
2-cyclobutyl-1-(oxan-2-yl)ethanone
CID 114974038
1-(7-bicyclo[4.1.0]heptanyl)-2-(oxan-4-yl)ethanone
CID 114969184
1-(1,4-dioxan-2-yl)-2-ethoxyethanone
CID 115278581
1-(4-aminooxolan-3-yl)-2-(oxan-4-yl)ethanone
CID 116587534
1-(1,4-dioxan-2-yl)tridecan-1-one
CID 65350783
1-(1,4-dioxan-2-yl)-3-methylsulfonylpropan-1-one
CID 65350575
2-(oxan-4-yl)-1-(thiolan-2-yl)ethanone
CID 80622758
cycloheptyl(1,4-dioxan-2-yl)methanone
CID 115875404

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone (CID 65351380) is 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is KHOMUZXXOVURLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c12-10(11-8-14-5-6-15-11)7-9-1-3-13-4-2-9/h9,11H,1-8H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone?
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 214.26 g/mol, XLogP of 0.79, 3 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-(oxan-4-yl)ethanone is sourced from PubChem (CID 65351380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).