ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate

C12H20O3 — CID 10774906

IUPACethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C)(C)C1CC
InChIInChI=1S/C12H20O3/c1-6-9-10(11(13)14-7-2)8(3)15-12(9,4)5/h9H,6-7H2,1-5H3
InChIKeyVYKZPLDHFOBZSY-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.66
Rot. Bonds3

About ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate

ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate (PubChem CID 10774906) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate
PubChem CID10774906
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(C)(C)C1CC
InChIInChI=1S/C12H20O3/c1-6-9-10(11(13)14-7-2)8(3)15-12(9,4)5/h9H,6-7H2,1-5H3
InChIKeyVYKZPLDHFOBZSY-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-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-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate (CID 10774906) is ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate is CCOC(=O)C1=C(C)OC(C)(C)C1CC.
What is the InChIKey of ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate?
The InChIKey is VYKZPLDHFOBZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-6-9-10(11(13)14-7-2)8(3)15-12(9,4)5/h9H,6-7H2,1-5H3.
What are the key properties of ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate?
ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2,2,5-trimethyl-3H-furan-4-carboxylate is sourced from PubChem (CID 10774906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).