2-(3-oxocyclobutyl)ethyl acetate

C8H12O3 — CID 72736668

IUPAC2-(3-oxocyclobutyl)ethyl acetate
SMILESCC(=O)OCCC1CC(=O)C1
InChIInChI=1S/C8H12O3/c1-6(9)11-3-2-7-4-8(10)5-7/h7H,2-5H2,1H3
InChIKeyKUVQURYFPOWJHE-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.92
Rot. Bonds3

About 2-(3-oxocyclobutyl)ethyl acetate

2-(3-oxocyclobutyl)ethyl acetate (PubChem CID 72736668) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(3-oxocyclobutyl)ethyl acetate.

Molecular Properties

Compound Name2-(3-oxocyclobutyl)ethyl acetate
PubChem CID72736668
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(3-oxocyclobutyl)ethyl acetate
SMILESCC(=O)OCCC1CC(=O)C1
InChIInChI=1S/C8H12O3/c1-6(9)11-3-2-7-4-8(10)5-7/h7H,2-5H2,1H3
InChIKeyKUVQURYFPOWJHE-UHFFFAOYSA-N
XLogP0.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxocyclobutyl)ethyl 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

2-(2-oxooxolan-3-yl)ethyl acetate
CID 11008384
3-(3-methylbut-3-enyl)cyclobutan-1-one
CID 123834136
2-(2,6-dimethyloxan-4-yl)ethyl acetate
CID 134539061
cyclohexane;2-cyclohexylethyl acetate;cyclopentadecanone;tetradecane
CID 174845633
2-[(1S)-2-oxocyclohexyl]ethyl acetate
CID 20637814
2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl acetate
CID 69125498
[(1S,2R)-2-(hydroxymethyl)-4-oxocyclopentyl]methyl acetate
CID 11412792
2-[(2S,3S)-2-(iodomethyl)-5-oxooxolan-3-yl]ethyl acetate
CID 56957630
11-acetyloxyundecyl acetate
CID 87784419
2-(5-nitro-2,3-dihydro-1H-inden-2-yl)ethyl acetate
CID 25139339
2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate
CID 25140030
3-(2-aminoethyl)cyclobutan-1-one;hydrochloride
CID 121207911

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxocyclobutyl)ethyl acetate?
The IUPAC name of 2-(3-oxocyclobutyl)ethyl acetate (CID 72736668) is 2-(3-oxocyclobutyl)ethyl acetate.
What is the SMILES notation for 2-(3-oxocyclobutyl)ethyl acetate?
The canonical SMILES for 2-(3-oxocyclobutyl)ethyl acetate is CC(=O)OCCC1CC(=O)C1.
What is the InChIKey of 2-(3-oxocyclobutyl)ethyl acetate?
The InChIKey is KUVQURYFPOWJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6(9)11-3-2-7-4-8(10)5-7/h7H,2-5H2,1H3.
What are the key properties of 2-(3-oxocyclobutyl)ethyl acetate?
2-(3-oxocyclobutyl)ethyl acetate has a molecular weight of 156.18 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxocyclobutyl)ethyl acetate is sourced from PubChem (CID 72736668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).