2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one

C11H16O3 — CID 129164304

IUPAC2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one
SMILESCCOC1C2CC3CC2CC(=O)OC31
InChIInChI=1S/C11H16O3/c1-2-13-11-8-4-7-3-6(8)5-9(12)14-10(7)11/h6-8,10-11H,2-5H2,1H3
InChIKeyHSXNHYQLTASPEI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.36
Rot. Bonds2

About 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one

2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one (PubChem CID 129164304) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one.

Molecular Properties

Compound Name2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one
PubChem CID129164304
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one
SMILESCCOC1C2CC3CC2CC(=O)OC31
InChIInChI=1S/C11H16O3/c1-2-13-11-8-4-7-3-6(8)5-9(12)14-10(7)11/h6-8,10-11H,2-5H2,1H3
InChIKeyHSXNHYQLTASPEI-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one 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

[(3aS,5R,6R,6aR)-6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 10890066
[(3aR,5R,6S,6aS)-6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 10354358
(1S,2R,6S,7R)-3-oxatricyclo[5.2.1.02,6]decan-4-one
CID 11040886
(1S,2S,6R,7R)-3-oxatricyclo[5.2.1.02,6]decan-4-one
CID 11435045
(1R,2S,6R,7S)-3-oxatricyclo[5.2.1.02,6]decan-4-one
CID 45098317
8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
CID 131983355
6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
CID 45098405
2-ethoxy-1,3-dioxane-4,6-dione
CID 53405380
(4-oxo-3-oxatricyclo[5.2.1.02,6]decan-8-yl) 2-methylprop-2-enoate
CID 59460117
(4R)-4-ethyloxetan-2-one
CID 14325240
(4R)-4-nonoxyoxetan-2-one
CID 175477617
(3aS,5R,6R,6aR)-6-iodo-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 134964589

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one?
The IUPAC name of 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one (CID 129164304) is 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one.
What is the SMILES notation for 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one?
The canonical SMILES for 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one is CCOC1C2CC3CC2CC(=O)OC31.
What is the InChIKey of 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one?
The InChIKey is HSXNHYQLTASPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-13-11-8-4-7-3-6(8)5-9(12)14-10(7)11/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one?
2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one has a molecular weight of 196.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-oxatricyclo[5.3.0.03,9]decan-5-one is sourced from PubChem (CID 129164304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).