(3-acetyloxy-5-oxocyclohexyl) acetate

C10H14O5 — CID 72775386

IUPAC(3-acetyloxy-5-oxocyclohexyl) acetate
SMILESCC(=O)OC1CC(=O)CC(OC(C)=O)C1
InChIInChI=1S/C10H14O5/c1-6(11)14-9-3-8(13)4-10(5-9)15-7(2)12/h9-10H,3-5H2,1-2H3
InChIKeyAHAJXZOWFPFPDI-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.60
Rot. Bonds2

About (3-acetyloxy-5-oxocyclohexyl) acetate

(3-acetyloxy-5-oxocyclohexyl) acetate (PubChem CID 72775386) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3-acetyloxy-5-oxocyclohexyl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-5-oxocyclohexyl) acetate
PubChem CID72775386
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(3-acetyloxy-5-oxocyclohexyl) acetate
SMILESCC(=O)OC1CC(=O)CC(OC(C)=O)C1
InChIInChI=1S/C10H14O5/c1-6(11)14-9-3-8(13)4-10(5-9)15-7(2)12/h9-10H,3-5H2,1-2H3
InChIKeyAHAJXZOWFPFPDI-UHFFFAOYSA-N
XLogP0.60
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-acetyloxy-5-oxocyclohexyl) acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-5-oxocyclohexyl) acetate?
The IUPAC name of (3-acetyloxy-5-oxocyclohexyl) acetate (CID 72775386) is (3-acetyloxy-5-oxocyclohexyl) acetate.
What is the SMILES notation for (3-acetyloxy-5-oxocyclohexyl) acetate?
The canonical SMILES for (3-acetyloxy-5-oxocyclohexyl) acetate is CC(=O)OC1CC(=O)CC(OC(C)=O)C1.
What is the InChIKey of (3-acetyloxy-5-oxocyclohexyl) acetate?
The InChIKey is AHAJXZOWFPFPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(11)14-9-3-8(13)4-10(5-9)15-7(2)12/h9-10H,3-5H2,1-2H3.
What are the key properties of (3-acetyloxy-5-oxocyclohexyl) acetate?
(3-acetyloxy-5-oxocyclohexyl) acetate has a molecular weight of 214.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-5-oxocyclohexyl) acetate is sourced from PubChem (CID 72775386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).