(4-acetyloxyoxan-4-yl)methyl acetate

C10H16O5 — CID 909733

IUPAC(4-acetyloxyoxan-4-yl)methyl acetate
SMILESCC(=O)OCC1(OC(C)=O)CCOCC1
InChIInChI=1S/C10H16O5/c1-8(11)14-7-10(15-9(2)12)3-5-13-6-4-10/h3-7H2,1-2H3
InChIKeyQWMQZCGLGWKYLJ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.66
Rot. Bonds3

About (4-acetyloxyoxan-4-yl)methyl acetate

(4-acetyloxyoxan-4-yl)methyl acetate (PubChem CID 909733) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (4-acetyloxyoxan-4-yl)methyl acetate.

Molecular Properties

Compound Name(4-acetyloxyoxan-4-yl)methyl acetate
PubChem CID909733
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(4-acetyloxyoxan-4-yl)methyl acetate
SMILESCC(=O)OCC1(OC(C)=O)CCOCC1
InChIInChI=1S/C10H16O5/c1-8(11)14-7-10(15-9(2)12)3-5-13-6-4-10/h3-7H2,1-2H3
InChIKeyQWMQZCGLGWKYLJ-UHFFFAOYSA-N
XLogP0.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-acetyloxyoxan-4-yl)methyl acetate 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

[4-(morpholin-4-ylmethyl)oxan-4-yl] acetate
CID 90440424
6-oxaspiro[2.5]octan-2-ylmethyl acetate
CID 131042123
(1-aminocyclopropyl)methyl acetate
CID 150213578
[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
CID 10490483
[4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91287011
[1-(2-morpholin-4-ylethyl)cyclopentyl] acetate
CID 91522292
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
(4-ethyl-2-oxooxan-4-yl) acetate
CID 89198151
(1-prop-1-en-2-ylcyclobutyl)methyl acetate
CID 154240293
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
1,4-dioxane;propyl acetate
CID 175904489
[2-diazo-2-(4-hydroxyoxan-4-yl)ethyl] acetate
CID 174800467

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxyoxan-4-yl)methyl acetate?
The IUPAC name of (4-acetyloxyoxan-4-yl)methyl acetate (CID 909733) is (4-acetyloxyoxan-4-yl)methyl acetate.
What is the SMILES notation for (4-acetyloxyoxan-4-yl)methyl acetate?
The canonical SMILES for (4-acetyloxyoxan-4-yl)methyl acetate is CC(=O)OCC1(OC(C)=O)CCOCC1.
What is the InChIKey of (4-acetyloxyoxan-4-yl)methyl acetate?
The InChIKey is QWMQZCGLGWKYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-8(11)14-7-10(15-9(2)12)3-5-13-6-4-10/h3-7H2,1-2H3.
What are the key properties of (4-acetyloxyoxan-4-yl)methyl acetate?
(4-acetyloxyoxan-4-yl)methyl acetate has a molecular weight of 216.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxyoxan-4-yl)methyl acetate is sourced from PubChem (CID 909733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).