ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate

C12H20O4 — CID 12530959

IUPACethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
SMILESCCOC(=O)CC1(CC(=O)OCC)CCC1
InChIInChI=1S/C12H20O4/c1-3-15-10(13)8-12(6-5-7-12)9-11(14)16-4-2/h3-9H2,1-2H3
InChIKeyMBAAFUHPVJVWIB-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.06
Rot. Bonds6

About ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate

ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate (PubChem CID 12530959) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
PubChem CID12530959
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nameethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
SMILESCCOC(=O)CC1(CC(=O)OCC)CCC1
InChIInChI=1S/C12H20O4/c1-3-15-10(13)8-12(6-5-7-12)9-11(14)16-4-2/h3-9H2,1-2H3
InChIKeyMBAAFUHPVJVWIB-UHFFFAOYSA-N
XLogP2.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]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-[1-(3-oxobutyl)cyclohexyl]acetate
CID 174738160
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
propyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161128
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
CID 69312461
ethyl 2-[1-[[(2-amino-3-hydroxypropanoyl)amino]methyl]cyclohexyl]acetate
CID 11414953
2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid
CID 71030728
ethyl 2-[1-(2-thiophen-2-ylethyl)cyclopentyl]acetate
CID 10778190
2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161222
ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380
ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate
CID 11220628

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate?
The IUPAC name of ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate (CID 12530959) is ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate?
The canonical SMILES for ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate is CCOC(=O)CC1(CC(=O)OCC)CCC1.
What is the InChIKey of ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate?
The InChIKey is MBAAFUHPVJVWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-3-15-10(13)8-12(6-5-7-12)9-11(14)16-4-2/h3-9H2,1-2H3.
What are the key properties of ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate?
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate has a molecular weight of 228.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate is sourced from PubChem (CID 12530959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).