2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C11H14O4 — CID 167571291

IUPAC2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESCC(=O)COC1C2CC3C(=O)OC1C3C2
InChIInChI=1S/C11H14O4/c1-5(12)4-14-9-6-2-7-8(3-6)11(13)15-10(7)9/h6-10H,2-4H2,1H3
InChIKeyQTGNSEDHMMXSOX-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.54
Rot. Bonds3

About 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 167571291) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID167571291
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESCC(=O)COC1C2CC3C(=O)OC1C3C2
InChIInChI=1S/C11H14O4/c1-5(12)4-14-9-6-2-7-8(3-6)11(13)15-10(7)9/h6-10H,2-4H2,1H3
InChIKeyQTGNSEDHMMXSOX-UHFFFAOYSA-N
XLogP0.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-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

2-(silylmethoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 123804126
[(1S,6R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2-methylprop-2-enoate
CID 67990971
[(1S)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2-methylidenebutanoate
CID 122605939
2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-chloroacetate
CID 58105943
ethane;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2-methylbutanoate
CID 91015076
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(aziridin-1-yl)acetate
CID 170264720
2,2-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]acetate
CID 162450997
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3-dimethyl-1-(2-methylpropyl)cyclopropane-1-carboxylate
CID 163686793
[(3R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,4-dimethyl-2-propan-2-ylpentanoate
CID 163442317
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3-diiodo-2-methylpropanoate
CID 153151173
boranuide;methane;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate
CID 158813455
N-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]methanamine oxide
CID 163430349

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 167571291) is 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is CC(=O)COC1C2CC3C(=O)OC1C3C2.
What is the InChIKey of 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is QTGNSEDHMMXSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-5(12)4-14-9-6-2-7-8(3-6)11(13)15-10(7)9/h6-10H,2-4H2,1H3.
What are the key properties of 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 210.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 167571291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).