ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate

C12H18O4 — CID 52915698

IUPACethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate
SMILESCCOC(=O)CC1CCOC12CCC(=O)C2
InChIInChI=1S/C12H18O4/c1-2-15-11(14)7-9-4-6-16-12(9)5-3-10(13)8-12/h9H,2-8H2,1H3
InChIKeyFCTABFSLRQOQQX-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.47
Rot. Bonds3

About ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate

ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate (PubChem CID 52915698) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate
PubChem CID52915698
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Nameethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate
SMILESCCOC(=O)CC1CCOC12CCC(=O)C2
InChIInChI=1S/C12H18O4/c1-2-15-11(14)7-9-4-6-16-12(9)5-3-10(13)8-12/h9H,2-8H2,1H3
InChIKeyFCTABFSLRQOQQX-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-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

ethyl 2-[(4S,5S)-7-hydroxy-1-oxaspiro[4.5]decan-4-yl]acetate
CID 102298649
ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate
CID 142578322
ethyl 2-(1,4-dioxospiro[4.5]decan-10-yl)acetate
CID 101195037
ethyl 2-[(2R)-6-oxooxan-2-yl]acetate
CID 102379302
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-(2,3-dioxocyclopentyl)acetate
CID 91389872
ethyl 2-[(1S)-2-oxocyclopentyl]acetate
CID 1268264
ethyl 2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)acetate
CID 71344322
ethyl 2-(4,4-dimethyloxan-2-yl)acetate
CID 10375536
trans-ethyl (1S,2R)-2-(2-ethoxy-2-oxoethyl)-1-methylcyclopentane-1-carboxylate
CID 14958532

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate?
The IUPAC name of ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate (CID 52915698) is ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate?
The canonical SMILES for ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate is CCOC(=O)CC1CCOC12CCC(=O)C2.
What is the InChIKey of ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate?
The InChIKey is FCTABFSLRQOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-2-15-11(14)7-9-4-6-16-12(9)5-3-10(13)8-12/h9H,2-8H2,1H3.
What are the key properties of ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate?
ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate has a molecular weight of 226.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-oxo-1-oxaspiro[4.4]nonan-4-yl)acetate is sourced from PubChem (CID 52915698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).