ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate

C9H14O4 — CID 67962947

IUPACethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2OC(C)O2)CC1
InChIInChI=1S/C9H14O4/c1-3-11-7(10)9(4-5-9)8-12-6(2)13-8/h6,8H,3-5H2,1-2H3
InChIKeyAZWUUSBWUJMFEN-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.05
Rot. Bonds3

About ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate

ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate (PubChem CID 67962947) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate
PubChem CID67962947
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Nameethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2OC(C)O2)CC1
InChIInChI=1S/C9H14O4/c1-3-11-7(10)9(4-5-9)8-12-6(2)13-8/h6,8H,3-5H2,1-2H3
InChIKeyAZWUUSBWUJMFEN-UHFFFAOYSA-N
XLogP1.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate 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 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
CID 131964099
ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate
CID 86716165
diethyl 2-methyl-1,3-dioxane-5,5-dicarboxylate
CID 15130485
diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
CID 143831911
ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
CID 176838289
ethyl 2-methylbicyclo[2.2.1]heptane-1-carboxylate
CID 154478235
ethyl (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
CID 11746379
ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate
CID 141313194
ethyl 3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 123179278
ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035
ethyl (3aS,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylate
CID 125042073
2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid
CID 69392281

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate (CID 67962947) is ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(C2OC(C)O2)CC1.
What is the InChIKey of ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is AZWUUSBWUJMFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-11-7(10)9(4-5-9)8-12-6(2)13-8/h6,8H,3-5H2,1-2H3.
What are the key properties of ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate?
ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 67962947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).