ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate

C12H20O3 — CID 3761223

IUPACethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate
SMILESCCOC(=O)C1(C)OC1C1CCCCC1
InChIInChI=1S/C12H20O3/c1-3-14-11(13)12(2)10(15-12)9-7-5-4-6-8-9/h9-10H,3-8H2,1-2H3
InChIKeyOAFPMNUZIVFMRP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds3

About ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate

ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate (PubChem CID 3761223) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate
PubChem CID3761223
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate
SMILESCCOC(=O)C1(C)OC1C1CCCCC1
InChIInChI=1S/C12H20O3/c1-3-14-11(13)12(2)10(15-12)9-7-5-4-6-8-9/h9-10H,3-8H2,1-2H3
InChIKeyOAFPMNUZIVFMRP-UHFFFAOYSA-N
XLogP2.29
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate?
The IUPAC name of ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate (CID 3761223) is ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate.
What is the SMILES notation for ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate?
The canonical SMILES for ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate is CCOC(=O)C1(C)OC1C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate?
The InChIKey is OAFPMNUZIVFMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-14-11(13)12(2)10(15-12)9-7-5-4-6-8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate?
ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-2-methyloxirane-2-carboxylate is sourced from PubChem (CID 3761223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).