ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate

C13H20O3 — CID 142578322

IUPACethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate
SMILESCCOC(=O)CC1CC2(CCC(=O)CC2)C1
InChIInChI=1S/C13H20O3/c1-2-16-12(15)7-10-8-13(9-10)5-3-11(14)4-6-13/h10H,2-9H2,1H3
InChIKeyBVSWGBOVCZYBKJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.48
Rot. Bonds3

About ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate

ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate (PubChem CID 142578322) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate
PubChem CID142578322
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate
SMILESCCOC(=O)CC1CC2(CCC(=O)CC2)C1
InChIInChI=1S/C13H20O3/c1-2-16-12(15)7-10-8-13(9-10)5-3-11(14)4-6-13/h10H,2-9H2,1H3
InChIKeyBVSWGBOVCZYBKJ-UHFFFAOYSA-N
XLogP2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(7-oxospiro[3.5]nonan-2-yl)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

Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
CID 11735763
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6R)-rel-
CID 44148952
Ethyl 2-oxocyclohexylacetate
CID 91229
Ethyl 2-(4-oxocyclohexyl)acetate
CID 12666966
Cyclohexanecarboxylic acid, 1-methyl-2-oxo-, ethyl ester
CID 227357
Ethyl 1-methyl-4-oxocyclohexanecarboxylate
CID 21911973
Hexyl 3-acetyl-2,2-dimethylcyclobutaneacetate
CID 254419
Methyl 3-acetyl-2,2-dimethylcyclobutaneacetate
CID 86494
Ethyl 5-tert-butyl-2-oxocyclohexane-1-carboxylate
CID 13184322
Methyl 4-acetylcyclohexanecarboxylate
CID 22421109
Methyl 2-oxospiro[3.5]nonane-7-carboxylate
CID 137935544
Ethyl 3,3,5-trimethylcyclohexaneacetate
CID 122545

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate?
The IUPAC name of ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate (CID 142578322) is ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate?
The canonical SMILES for ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate is CCOC(=O)CC1CC2(CCC(=O)CC2)C1.
What is the InChIKey of ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate?
The InChIKey is BVSWGBOVCZYBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-16-12(15)7-10-8-13(9-10)5-3-11(14)4-6-13/h10H,2-9H2,1H3.
What are the key properties of ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate?
ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate has a molecular weight of 224.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate is sourced from PubChem (CID 142578322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).